N-(2-cyanopropyl)methanesulfonamide

C5H10N2O2S — CID 62651127

IUPACN-(2-cyanopropyl)methanesulfonamide
SMILESCC(C#N)CNS(C)(=O)=O
InChIInChI=1S/C5H10N2O2S/c1-5(3-6)4-7-10(2,8)9/h5,7H,4H2,1-2H3
InChIKeyLQSNJKXMBOCJCA-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.30
Rot. Bonds3

About N-(2-cyanopropyl)methanesulfonamide

N-(2-cyanopropyl)methanesulfonamide (PubChem CID 62651127) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is N-(2-cyanopropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)methanesulfonamide
PubChem CID62651127
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC NameN-(2-cyanopropyl)methanesulfonamide
SMILESCC(C#N)CNS(C)(=O)=O
InChIInChI=1S/C5H10N2O2S/c1-5(3-6)4-7-10(2,8)9/h5,7H,4H2,1-2H3
InChIKeyLQSNJKXMBOCJCA-UHFFFAOYSA-N
XLogP-0.30
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)methanesulfonamide?
The IUPAC name of N-(2-cyanopropyl)methanesulfonamide (CID 62651127) is N-(2-cyanopropyl)methanesulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)methanesulfonamide?
The canonical SMILES for N-(2-cyanopropyl)methanesulfonamide is CC(C#N)CNS(C)(=O)=O.
What is the InChIKey of N-(2-cyanopropyl)methanesulfonamide?
The InChIKey is LQSNJKXMBOCJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-5(3-6)4-7-10(2,8)9/h5,7H,4H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)methanesulfonamide?
N-(2-cyanopropyl)methanesulfonamide has a molecular weight of 162.21 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)methanesulfonamide is sourced from PubChem (CID 62651127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).