N-(1-cyanobutyl)methanesulfonamide

C6H12N2O2S — CID 61124458

IUPACN-(1-cyanobutyl)methanesulfonamide
SMILESCCCC(C#N)NS(C)(=O)=O
InChIInChI=1S/C6H12N2O2S/c1-3-4-6(5-7)8-11(2,9)10/h6,8H,3-4H2,1-2H3
InChIKeyCOFGZLYEJGUNSB-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.23
Rot. Bonds4

About N-(1-cyanobutyl)methanesulfonamide

N-(1-cyanobutyl)methanesulfonamide (PubChem CID 61124458) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is N-(1-cyanobutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)methanesulfonamide
PubChem CID61124458
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC NameN-(1-cyanobutyl)methanesulfonamide
SMILESCCCC(C#N)NS(C)(=O)=O
InChIInChI=1S/C6H12N2O2S/c1-3-4-6(5-7)8-11(2,9)10/h6,8H,3-4H2,1-2H3
InChIKeyCOFGZLYEJGUNSB-UHFFFAOYSA-N
XLogP0.23
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)methanesulfonamide?
The IUPAC name of N-(1-cyanobutyl)methanesulfonamide (CID 61124458) is N-(1-cyanobutyl)methanesulfonamide.
What is the SMILES notation for N-(1-cyanobutyl)methanesulfonamide?
The canonical SMILES for N-(1-cyanobutyl)methanesulfonamide is CCCC(C#N)NS(C)(=O)=O.
What is the InChIKey of N-(1-cyanobutyl)methanesulfonamide?
The InChIKey is COFGZLYEJGUNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-3-4-6(5-7)8-11(2,9)10/h6,8H,3-4H2,1-2H3.
What are the key properties of N-(1-cyanobutyl)methanesulfonamide?
N-(1-cyanobutyl)methanesulfonamide has a molecular weight of 176.24 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)methanesulfonamide is sourced from PubChem (CID 61124458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).