![3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile structure](/static/products/155/155473-92-0.png)
3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
TL;DR: 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile (CAS 155473-92-0) is a chemical compound with molecular formula C16H21N3S2 and molecular weight 319.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-8-piperidin-1-yl-6-sulfanylidene-4,7-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile, 3,3-dimethyl-8-(piperidin-1-yl)-6-sulfanyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile, 3,3-DIMETHYL-8-(PIPERIDIN-1-YL)-6-SULFANYLIDENE-1H,4H,7H-THIOPYRANO[3,4-C]PYRIDINE-5-CARBONITRILE, 3,3-dimethyl-8-piperidin-1-yl-6-sulfanylidene-4,7-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C16H21N3S2 |
|---|---|
| Molecular Weight | 319.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.11768 |
| Heavy Atoms | 21 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 155473-92-0 |
|---|---|
| SMILES | CC1(CC2=C(C(=S)NC(=C2CS1)N3CCCCC3)C#N)C |
| InChIKey | IYNGDVIOZCQSSI-UHFFFAOYSA-N |
Product Overview
3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile (CAS 155473-92-0), with molecular formula C16H21N3S2 and molecular weight 319.12 g/mol. IUPAC: 3,3-dimethyl-8-piperidin-1-yl-6-sulfanylidene-4,7-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Property Insights of 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
The CAS number of 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile is 155473-92-0.
What is the molecular formula of 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
The molecular formula of 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile is C16H21N3S2.
What is the molecular weight of 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
The molecular weight of 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile is 319.12 g/mol.
Where can I buy 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
You can request a quote for 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-8-(piperidin-1-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.