N-(3-cyanocyclopentyl)methanesulfonamide

C7H12N2O2S — CID 126991420

IUPACN-(3-cyanocyclopentyl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(C#N)C1
InChIInChI=1S/C7H12N2O2S/c1-12(10,11)9-7-3-2-6(4-7)5-8/h6-7,9H,2-4H2,1H3
InChIKeyYSBLWYRVFHZUQO-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.23
Rot. Bonds2

About N-(3-cyanocyclopentyl)methanesulfonamide

N-(3-cyanocyclopentyl)methanesulfonamide (PubChem CID 126991420) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is N-(3-cyanocyclopentyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-cyanocyclopentyl)methanesulfonamide
PubChem CID126991420
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC NameN-(3-cyanocyclopentyl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(C#N)C1
InChIInChI=1S/C7H12N2O2S/c1-12(10,11)9-7-3-2-6(4-7)5-8/h6-7,9H,2-4H2,1H3
InChIKeyYSBLWYRVFHZUQO-UHFFFAOYSA-N
XLogP0.23
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanocyclopentyl)methanesulfonamide?
The IUPAC name of N-(3-cyanocyclopentyl)methanesulfonamide (CID 126991420) is N-(3-cyanocyclopentyl)methanesulfonamide.
What is the SMILES notation for N-(3-cyanocyclopentyl)methanesulfonamide?
The canonical SMILES for N-(3-cyanocyclopentyl)methanesulfonamide is CS(=O)(=O)NC1CCC(C#N)C1.
What is the InChIKey of N-(3-cyanocyclopentyl)methanesulfonamide?
The InChIKey is YSBLWYRVFHZUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-12(10,11)9-7-3-2-6(4-7)5-8/h6-7,9H,2-4H2,1H3.
What are the key properties of N-(3-cyanocyclopentyl)methanesulfonamide?
N-(3-cyanocyclopentyl)methanesulfonamide has a molecular weight of 188.25 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanocyclopentyl)methanesulfonamide is sourced from PubChem (CID 126991420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).