2-cyano-N-ethylethanesulfonamide

C5H10N2O2S — CID 13418378

IUPAC2-cyano-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCC#N
InChIInChI=1S/C5H10N2O2S/c1-2-7-10(8,9)5-3-4-6/h7H,2-3,5H2,1H3
InChIKeyZNEHNXQAHIEJDF-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.16
Rot. Bonds4

About 2-cyano-N-ethylethanesulfonamide

2-cyano-N-ethylethanesulfonamide (PubChem CID 13418378) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-cyano-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-cyano-N-ethylethanesulfonamide
PubChem CID13418378
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name2-cyano-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCC#N
InChIInChI=1S/C5H10N2O2S/c1-2-7-10(8,9)5-3-4-6/h7H,2-3,5H2,1H3
InChIKeyZNEHNXQAHIEJDF-UHFFFAOYSA-N
XLogP-0.16
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-ethylethanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-N-methylbutane-1-sulfonamide
CID 61456555
4-cyano-N-methylbutane-1-sulfonamide
CID 71699857
N-ethylethane-1-sulfonamide
CID 3302035
N-(3-aminopropyl)ethane-1-sulfonamide
CID 24702447
1-Aminopropane-2-sulfonamide hydrochloride
CID 71432993
3-amino-N-methylpropane-1-sulfonamide hydrochloride
CID 86628390
3-Aminopropane-1-sulfonamide
CID 13343446
1-Aminopropane-2-sulfonamide
CID 65552726
(2S)-1-amino-N-methylpropane-2-sulfonamidehydrochloride
CID 165652573
(2R)-1-amino-N-methylpropane-2-sulfonamidehydrochloride
CID 165652880
n-butyl-N-n-propylsulfonamide
CID 19681138
2-Amino-N-butylethanesulfonamide
CID 21458645

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethylethanesulfonamide?
The IUPAC name of 2-cyano-N-ethylethanesulfonamide (CID 13418378) is 2-cyano-N-ethylethanesulfonamide.
What is the SMILES notation for 2-cyano-N-ethylethanesulfonamide?
The canonical SMILES for 2-cyano-N-ethylethanesulfonamide is CCNS(=O)(=O)CCC#N.
What is the InChIKey of 2-cyano-N-ethylethanesulfonamide?
The InChIKey is ZNEHNXQAHIEJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-2-7-10(8,9)5-3-4-6/h7H,2-3,5H2,1H3.
What are the key properties of 2-cyano-N-ethylethanesulfonamide?
2-cyano-N-ethylethanesulfonamide has a molecular weight of 162.21 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethylethanesulfonamide is sourced from PubChem (CID 13418378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).