N-(2-cyanocyclopentyl)propane-2-sulfonamide

C9H16N2O2S — CID 62962169

IUPACN-(2-cyanocyclopentyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C9H16N2O2S/c1-7(2)14(12,13)11-9-5-3-4-8(9)6-10/h7-9,11H,3-5H2,1-2H3
InChIKeyFTQCAQIRBYMOEA-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.01
Rot. Bonds3

About N-(2-cyanocyclopentyl)propane-2-sulfonamide

N-(2-cyanocyclopentyl)propane-2-sulfonamide (PubChem CID 62962169) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)propane-2-sulfonamide
PubChem CID62962169
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(2-cyanocyclopentyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C9H16N2O2S/c1-7(2)14(12,13)11-9-5-3-4-8(9)6-10/h7-9,11H,3-5H2,1-2H3
InChIKeyFTQCAQIRBYMOEA-UHFFFAOYSA-N
XLogP1.01
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.01
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
N-[2-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide
CID 119985469
N-(1-cyanocyclopentyl)propane-2-sulfonamide
CID 61123668
N-(3-methylcyclopentyl)propane-2-sulfonamide
CID 114541457
trans-(3S,4R)-3-amino-N-cyclopropylsulfonyl-4-ethylcyclopentane-1-carbonitrilium
CID 153690489

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)propane-2-sulfonamide?
The IUPAC name of N-(2-cyanocyclopentyl)propane-2-sulfonamide (CID 62962169) is N-(2-cyanocyclopentyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-cyanocyclopentyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCCC1C#N.
What is the InChIKey of N-(2-cyanocyclopentyl)propane-2-sulfonamide?
The InChIKey is FTQCAQIRBYMOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-7(2)14(12,13)11-9-5-3-4-8(9)6-10/h7-9,11H,3-5H2,1-2H3.
What are the key properties of N-(2-cyanocyclopentyl)propane-2-sulfonamide?
N-(2-cyanocyclopentyl)propane-2-sulfonamide has a molecular weight of 216.31 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)propane-2-sulfonamide is sourced from PubChem (CID 62962169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).