n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide
TL;DR: n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide (CAS 5817-87-8) is a chemical compound with molecular formula C6H15NO4S2 and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-N-methylsulfonylmethanesulfonamide
Also Known As: n-(butan-2-yl)-n-(methylsulfonyl)methanesulfonamide, N-butan-2-yl-N-methylsulfonylmethanesulfonamide, N-(Butan-2-yl)-N-(methanesulfonyl)methanesulfonamide
| Molecular Formula | C6H15NO4S2 |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.04425 |
| Heavy Atoms | 13 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 5817-87-8 |
|---|---|
| SMILES | CCC(C)N(S(=O)(=O)C)S(=O)(=O)C |
| InChIKey | YSCKUGSCYBELRS-UHFFFAOYSA-N |
Product Overview
n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide (CAS 5817-87-8), with molecular formula C6H15NO4S2 and molecular weight 229.04 g/mol. IUPAC: N-butan-2-yl-N-methylsulfonylmethanesulfonamide.
Chemical Property Profile of n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide
Property Insights of n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide. Following Lipinski's Rule of Five, n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide has 0 hydrogen bond donor(s) and 5 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 n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide?
The CAS number of n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide is 5817-87-8.
What is the molecular formula of n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide?
The molecular formula of n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide is C6H15NO4S2.
What is the molecular weight of n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide?
The molecular weight of n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide is 229.04 g/mol.
Where can I buy n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide?
You can request a quote for n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for n-(Butan-2-yl)-n-(methylsulfonyl)methanesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.