2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine

C13H21N3O3S — CID 136573543

IUPAC2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine
SMILESCN(C1CCCC1)S(=O)(=O)NC(CO)c1ccccn1
InChIInChI=1S/C13H21N3O3S/c1-16(11-6-2-3-7-11)20(18,19)15-13(10-17)12-8-4-5-9-14-12/h4-5,8-9,11,13,15,17H,2-3,6-7,10H2,1H3
InChIKeyJQXDQZIHJSMGTM-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.82
Rot. Bonds6

About 2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine

2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine (PubChem CID 136573543) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine.

Molecular Properties

Compound Name2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine
PubChem CID136573543
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine
SMILESCN(C1CCCC1)S(=O)(=O)NC(CO)c1ccccn1
InChIInChI=1S/C13H21N3O3S/c1-16(11-6-2-3-7-11)20(18,19)15-13(10-17)12-8-4-5-9-14-12/h4-5,8-9,11,13,15,17H,2-3,6-7,10H2,1H3
InChIKeyJQXDQZIHJSMGTM-UHFFFAOYSA-N
XLogP0.82
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine?
The IUPAC name of 2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine (CID 136573543) is 2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine.
What is the SMILES notation for 2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine?
The canonical SMILES for 2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine is CN(C1CCCC1)S(=O)(=O)NC(CO)c1ccccn1.
What is the InChIKey of 2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine?
The InChIKey is JQXDQZIHJSMGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-16(11-6-2-3-7-11)20(18,19)15-13(10-17)12-8-4-5-9-14-12/h4-5,8-9,11,13,15,17H,2-3,6-7,10H2,1H3.
What are the key properties of 2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine?
2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine has a molecular weight of 299.40 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine is sourced from PubChem (CID 136573543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).