N-(2-cyanoethyl)methanesulfonamide

C4H8N2O2S — CID 22733296

IUPACN-(2-cyanoethyl)methanesulfonamide
SMILESCS(=O)(=O)NCCC#N
InChIInChI=1S/C4H8N2O2S/c1-9(7,8)6-4-2-3-5/h6H,2,4H2,1H3
InChIKeyDIDBZKDASZJEAR-UHFFFAOYSA-N
MW148.19 g/mol
LogP-0.55
Rot. Bonds3

About N-(2-cyanoethyl)methanesulfonamide

N-(2-cyanoethyl)methanesulfonamide (PubChem CID 22733296) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is N-(2-cyanoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)methanesulfonamide
PubChem CID22733296
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC NameN-(2-cyanoethyl)methanesulfonamide
SMILESCS(=O)(=O)NCCC#N
InChIInChI=1S/C4H8N2O2S/c1-9(7,8)6-4-2-3-5/h6H,2,4H2,1H3
InChIKeyDIDBZKDASZJEAR-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)methanesulfonamide?
The IUPAC name of N-(2-cyanoethyl)methanesulfonamide (CID 22733296) is N-(2-cyanoethyl)methanesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)methanesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)methanesulfonamide is CS(=O)(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)methanesulfonamide?
The InChIKey is DIDBZKDASZJEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2S/c1-9(7,8)6-4-2-3-5/h6H,2,4H2,1H3.
What are the key properties of N-(2-cyanoethyl)methanesulfonamide?
N-(2-cyanoethyl)methanesulfonamide 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 N-(2-cyanoethyl)methanesulfonamide is sourced from PubChem (CID 22733296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).