![1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide structure](/static/products/5255/525581-90-2.webp)
1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide
TL;DR: 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide (CAS 525581-90-2) is a chemical compound with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperidine-4-carboxamide
Also Known As: 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide, 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperidine-4-carboxamide, 1-[(1,3-benzodioxol-5-ylmethyl)carbamothioyl]piperidine-4-carboxamide, 1-((benzo[d][1,3]dioxol-5-ylmethyl)carbamothioyl)piperidine-4-carboxamide, 1-{[(1,3-benzodioxol-5-ylmethyl)amino]carbonothioyl}-4-piperidinecarboxamide
| Molecular Formula | C15H19N3O3S |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 0.9871 |
| Topological Polar Surface Area | 76.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.11472 |
| Heavy Atoms | 22 |
| Complexity | 585.39545 |
Chemical Identifiers
| CAS Number | 525581-90-2 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)C(=S)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide (CAS 525581-90-2), with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperidine-4-carboxamide.
Chemical Property Profile of 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide
Property Insights of 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide
The XLogP value of 0.9871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide. The TPSA of 76.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide. Following Lipinski's Rule of Five, 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide has 2 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 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide?
The CAS number of 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide is 525581-90-2.
What is the molecular formula of 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide?
The molecular formula of 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide is C15H19N3O3S.
What is the molecular weight of 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide?
The molecular weight of 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide is 321.11 g/mol.
Where can I buy 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide?
You can request a quote for 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.