2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide

C13H17N3O3S — CID 106546859

IUPAC2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C13H17N3O3S/c14-10-12-13(6-2-7-15-12)20(18,19)16(8-3-9-17)11-4-1-5-11/h2,6-7,11,17H,1,3-5,8-9H2
InChIKeyZDLGJAIVFLCYAG-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.88
Rot. Bonds6

About 2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide

2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide (PubChem CID 106546859) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
PubChem CID106546859
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C13H17N3O3S/c14-10-12-13(6-2-7-15-12)20(18,19)16(8-3-9-17)11-4-1-5-11/h2,6-7,11,17H,1,3-5,8-9H2
InChIKeyZDLGJAIVFLCYAG-UHFFFAOYSA-N
XLogP0.88
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide
CID 106545724
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 102847463
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449
2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 106545411
3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596988
N-cyclobutyl-N-(3-hydroxypropyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 102847607
3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596981
3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 62895827
2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide
CID 62159326
2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide
CID 106596107
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102860892
N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
CID 102847530

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide (CID 106546859) is 2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)N(CCCO)C1CCC1.
What is the InChIKey of 2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide?
The InChIKey is ZDLGJAIVFLCYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c14-10-12-13(6-2-7-15-12)20(18,19)16(8-3-9-17)11-4-1-5-11/h2,6-7,11,17H,1,3-5,8-9H2.
What are the key properties of 2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide?
2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106546859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).