N-(3-cyanopropyl)methanesulfonamide

C5H10N2O2S — CID 62667391

IUPACN-(3-cyanopropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCC#N
InChIInChI=1S/C5H10N2O2S/c1-10(8,9)7-5-3-2-4-6/h7H,2-3,5H2,1H3
InChIKeyQRFZQYNQAICHKW-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.16
Rot. Bonds4

About N-(3-cyanopropyl)methanesulfonamide

N-(3-cyanopropyl)methanesulfonamide (PubChem CID 62667391) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is N-(3-cyanopropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)methanesulfonamide
PubChem CID62667391
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC NameN-(3-cyanopropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCC#N
InChIInChI=1S/C5H10N2O2S/c1-10(8,9)7-5-3-2-4-6/h7H,2-3,5H2,1H3
InChIKeyQRFZQYNQAICHKW-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

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-(3-cyanopropyl)methanesulfonamide?
The IUPAC name of N-(3-cyanopropyl)methanesulfonamide (CID 62667391) is N-(3-cyanopropyl)methanesulfonamide.
What is the SMILES notation for N-(3-cyanopropyl)methanesulfonamide?
The canonical SMILES for N-(3-cyanopropyl)methanesulfonamide is CS(=O)(=O)NCCCC#N.
What is the InChIKey of N-(3-cyanopropyl)methanesulfonamide?
The InChIKey is QRFZQYNQAICHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-10(8,9)7-5-3-2-4-6/h7H,2-3,5H2,1H3.
What are the key properties of N-(3-cyanopropyl)methanesulfonamide?
N-(3-cyanopropyl)methanesulfonamide 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 N-(3-cyanopropyl)methanesulfonamide is sourced from PubChem (CID 62667391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).