N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide

C13H17N3O2S — CID 61123473

IUPACN-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide
SMILESN#CC1(NS(=O)(=O)CCc2ccccn2)CCCC1
InChIInChI=1S/C13H17N3O2S/c14-11-13(7-2-3-8-13)16-19(17,18)10-6-12-5-1-4-9-15-12/h1,4-5,9,16H,2-3,6-8,10H2
InChIKeyZRIZZNKKVQAPKI-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.38
Rot. Bonds5

About N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide

N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 61123473) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID61123473
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide
SMILESN#CC1(NS(=O)(=O)CCc2ccccn2)CCCC1
InChIInChI=1S/C13H17N3O2S/c14-11-13(7-2-3-8-13)16-19(17,18)10-6-12-5-1-4-9-15-12/h1,4-5,9,16H,2-3,6-8,10H2
InChIKeyZRIZZNKKVQAPKI-UHFFFAOYSA-N
XLogP1.38
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide
CID 61123182
2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid
CID 64672949
N-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide
CID 107423270
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 62093173
N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide
CID 63296937
N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide
CID 80662740
N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 75493544
N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 47956780
N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 93453148
N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864371
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-pyridin-2-ylethanesulfonamide
CID 114011018
N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 106367830

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide (CID 61123473) is N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide is N#CC1(NS(=O)(=O)CCc2ccccn2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is ZRIZZNKKVQAPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c14-11-13(7-2-3-8-13)16-19(17,18)10-6-12-5-1-4-9-15-12/h1,4-5,9,16H,2-3,6-8,10H2.
What are the key properties of N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide?
N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 61123473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).