2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide

C13H17N3O3S — CID 106596107

IUPAC2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NCC1CCCC1CO
InChIInChI=1S/C13H17N3O3S/c14-7-12-13(5-2-6-15-12)20(18,19)16-8-10-3-1-4-11(10)9-17/h2,5-6,10-11,16-17H,1,3-4,8-9H2
InChIKeyOPAYTNMRAMPZLB-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.64
Rot. Bonds5

About 2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide

2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide (PubChem CID 106596107) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide
PubChem CID106596107
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NCC1CCCC1CO
InChIInChI=1S/C13H17N3O3S/c14-7-12-13(5-2-6-15-12)20(18,19)16-8-10-3-1-4-11(10)9-17/h2,5-6,10-11,16-17H,1,3-4,8-9H2
InChIKeyOPAYTNMRAMPZLB-UHFFFAOYSA-N
XLogP0.64
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 106595671
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 106545352
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 106546512
3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 106593434
2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide
CID 107270957
2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide
CID 106598475
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
CID 106546358
2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide
CID 106546169
2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
CID 106546859
N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide
CID 106598645

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide (CID 106596107) is 2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)NCC1CCCC1CO.
What is the InChIKey of 2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide?
The InChIKey is OPAYTNMRAMPZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c14-7-12-13(5-2-6-15-12)20(18,19)16-8-10-3-1-4-11(10)9-17/h2,5-6,10-11,16-17H,1,3-4,8-9H2.
What are the key properties of 2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide?
2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106596107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).