1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide

C13H14N4O2S — CID 75458416

IUPAC1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CC2(C#N)CCCC2)nc1
InChIInChI=1S/C13H14N4O2S/c14-7-11-3-4-12(16-8-11)17-20(18,19)10-13(9-15)5-1-2-6-13/h3-4,8H,1-2,5-6,10H2,(H,16,17)
InChIKeyRNHJDDXQDGOINW-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.78
Rot. Bonds4

About 1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide

1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide (PubChem CID 75458416) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide
PubChem CID75458416
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CC2(C#N)CCCC2)nc1
InChIInChI=1S/C13H14N4O2S/c14-7-11-3-4-12(16-8-11)17-20(18,19)10-13(9-15)5-1-2-6-13/h3-4,8H,1-2,5-6,10H2,(H,16,17)
InChIKeyRNHJDDXQDGOINW-UHFFFAOYSA-N
XLogP1.78
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide
CID 63687678
ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate
CID 55063325
1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 29041806
6-cyano-N-(5-cyano-2-pyridinyl)pyridine-3-sulfonamide
CID 115662563
N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 62354753
N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide
CID 102609120
5-cyano-N-(5-cyano-2-pyridinyl)thiophene-2-sulfonamide
CID 106266766
2-[(5-cyano-2-pyridinyl)amino]ethanesulfonamide
CID 43552431
N-(5-cyano-2-pyridinyl)formamide
CID 64992105
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid
CID 62353939
6-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carbonitrile
CID 115308956

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide?
The IUPAC name of 1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide (CID 75458416) is 1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide is N#Cc1ccc(NS(=O)(=O)CC2(C#N)CCCC2)nc1.
What is the InChIKey of 1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide?
The InChIKey is RNHJDDXQDGOINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c14-7-11-3-4-12(16-8-11)17-20(18,19)10-13(9-15)5-1-2-6-13/h3-4,8H,1-2,5-6,10H2,(H,16,17).
What are the key properties of 1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide?
1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide is sourced from PubChem (CID 75458416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).