2-cyano-N-methylethanesulfonamide

C4H8N2O2S — CID 13418377

IUPAC2-cyano-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCC#N
InChIInChI=1S/C4H8N2O2S/c1-6-9(7,8)4-2-3-5/h6H,2,4H2,1H3
InChIKeyJQUDRDAQLRAICQ-UHFFFAOYSA-N
MW148.19 g/mol
LogP-0.55
Rot. Bonds3

About 2-cyano-N-methylethanesulfonamide

2-cyano-N-methylethanesulfonamide (PubChem CID 13418377) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is 2-cyano-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-cyano-N-methylethanesulfonamide
PubChem CID13418377
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC Name2-cyano-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCC#N
InChIInChI=1S/C4H8N2O2S/c1-6-9(7,8)4-2-3-5/h6H,2,4H2,1H3
InChIKeyJQUDRDAQLRAICQ-UHFFFAOYSA-N
XLogP-0.55
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-methylbutane-1-sulfonamide
CID 71699857
3-Cyanopropane-1-sulfonamide
CID 11557316
2-Cyano-2,2-dimethylethane-1-sulfonamide
CID 71757989
N-propylcyanomethanesulfonamide
CID 61791963
3-amino-N-methylpropane-1-sulfonamide
CID 58684975
1-cyano-N-(2-fluoroethyl)ethanesulfonamide
CID 130504370
N-(2-cyanoethyl)butane-1-sulfonamide
CID 10058355
2-cyano-N-ethylethanesulfonamide
CID 13418378
2-amino-N-propylethanesulfonamide
CID 16785918
N-(aminomethyl)butane-1-sulfonamide
CID 20715247
1-cyano-N-methylmethanesulfonamide
CID 21709128
N-(2-cyanoethyl)methanesulfonamide
CID 22733296

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methylethanesulfonamide?
The IUPAC name of 2-cyano-N-methylethanesulfonamide (CID 13418377) is 2-cyano-N-methylethanesulfonamide.
What is the SMILES notation for 2-cyano-N-methylethanesulfonamide?
The canonical SMILES for 2-cyano-N-methylethanesulfonamide is CNS(=O)(=O)CCC#N.
What is the InChIKey of 2-cyano-N-methylethanesulfonamide?
The InChIKey is JQUDRDAQLRAICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2S/c1-6-9(7,8)4-2-3-5/h6H,2,4H2,1H3.
What are the key properties of 2-cyano-N-methylethanesulfonamide?
2-cyano-N-methylethanesulfonamide has a molecular weight of 148.19 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methylethanesulfonamide is sourced from PubChem (CID 13418377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).