N-(cyanomethyl)methanesulfonamide

C3H6N2O2S — CID 3330232

IUPACN-(cyanomethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC#N
InChIInChI=1S/C3H6N2O2S/c1-8(6,7)5-3-2-4/h5H,3H2,1H3
InChIKeyWKFRGUWSNCMHOJ-UHFFFAOYSA-N
MW134.16 g/mol
LogP-0.94
Rot. Bonds2

About N-(cyanomethyl)methanesulfonamide

N-(cyanomethyl)methanesulfonamide (PubChem CID 3330232) has the molecular formula C3H6N2O2S and a molecular weight of 134.16 g/mol. Its IUPAC name is N-(cyanomethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(cyanomethyl)methanesulfonamide
PubChem CID3330232
Molecular FormulaC3H6N2O2S
Molecular Weight134.16 g/mol
Exact Mass134.01
IUPAC NameN-(cyanomethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC#N
InChIInChI=1S/C3H6N2O2S/c1-8(6,7)5-3-2-4/h5H,3H2,1H3
InChIKeyWKFRGUWSNCMHOJ-UHFFFAOYSA-N
XLogP-0.94
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze N-(cyanomethyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)methanesulfonamide?
The IUPAC name of N-(cyanomethyl)methanesulfonamide (CID 3330232) is N-(cyanomethyl)methanesulfonamide.
What is the SMILES notation for N-(cyanomethyl)methanesulfonamide?
The canonical SMILES for N-(cyanomethyl)methanesulfonamide is CS(=O)(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)methanesulfonamide?
The InChIKey is WKFRGUWSNCMHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2S/c1-8(6,7)5-3-2-4/h5H,3H2,1H3.
What are the key properties of N-(cyanomethyl)methanesulfonamide?
N-(cyanomethyl)methanesulfonamide has a molecular weight of 134.16 g/mol, XLogP of -0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)methanesulfonamide is sourced from PubChem (CID 3330232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).