N-(2-cyanocyclopentyl)ethanesulfonamide

C8H14N2O2S — CID 62963446

IUPACN-(2-cyanocyclopentyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C8H14N2O2S/c1-2-13(11,12)10-8-5-3-4-7(8)6-9/h7-8,10H,2-5H2,1H3
InChIKeyGSAYXSXYJCJSIP-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.62
Rot. Bonds3

About N-(2-cyanocyclopentyl)ethanesulfonamide

N-(2-cyanocyclopentyl)ethanesulfonamide (PubChem CID 62963446) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)ethanesulfonamide
PubChem CID62963446
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC NameN-(2-cyanocyclopentyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C8H14N2O2S/c1-2-13(11,12)10-8-5-3-4-7(8)6-9/h7-8,10H,2-5H2,1H3
InChIKeyGSAYXSXYJCJSIP-UHFFFAOYSA-N
XLogP0.62
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide
CID 86780680
(R)-N-[(1S,2S)-2-cyanocyclopentyl]-2-methylpropane-2-sulfinamide
CID 134855623
1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 75454698
N-(2-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059397
(1S)-1-cyano-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide
CID 97351029
(1R)-1-cyano-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide
CID 97351030
(1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide
CID 97351031
(1R)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide
CID 97351032
trans-(3S,4R)-3-amino-N-cyclopropylsulfonyl-4-ethylcyclopentane-1-carbonitrilium
CID 153690489
4-amino-N-ethylsulfonylcyclohexane-1-carbonitrilium
CID 169825262
N-[(3-aminocyclopentyl)methyl]butane-1-sulfonamide
CID 11601106
N-[[(1S,3R)-3-aminocyclopentyl]methyl]butane-1-sulfonamide
CID 11694338

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)ethanesulfonamide?
The IUPAC name of N-(2-cyanocyclopentyl)ethanesulfonamide (CID 62963446) is N-(2-cyanocyclopentyl)ethanesulfonamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)ethanesulfonamide?
The canonical SMILES for N-(2-cyanocyclopentyl)ethanesulfonamide is CCS(=O)(=O)NC1CCCC1C#N.
What is the InChIKey of N-(2-cyanocyclopentyl)ethanesulfonamide?
The InChIKey is GSAYXSXYJCJSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-2-13(11,12)10-8-5-3-4-7(8)6-9/h7-8,10H,2-5H2,1H3.
What are the key properties of N-(2-cyanocyclopentyl)ethanesulfonamide?
N-(2-cyanocyclopentyl)ethanesulfonamide has a molecular weight of 202.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)ethanesulfonamide is sourced from PubChem (CID 62963446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).