3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide

C13H18N2O4S — CID 51101063

IUPAC3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O4S/c16-12(15-11-6-3-8-14-13(11)17)7-9-20(18,19)10-4-1-2-5-10/h3,6,8,10H,1-2,4-5,7,9H2,(H,14,17)(H,15,16)
InChIKeyIBAZWRYCMUHKIN-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.06
Rot. Bonds5

About 3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide

3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide (PubChem CID 51101063) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide
PubChem CID51101063
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O4S/c16-12(15-11-6-3-8-14-13(11)17)7-9-20(18,19)10-4-1-2-5-10/h3,6,8,10H,1-2,4-5,7,9H2,(H,14,17)(H,15,16)
InChIKeyIBAZWRYCMUHKIN-UHFFFAOYSA-N
XLogP1.06
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide (CID 51101063) is 3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide is O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc[nH]c1=O.
What is the InChIKey of 3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide?
The InChIKey is IBAZWRYCMUHKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-12(15-11-6-3-8-14-13(11)17)7-9-20(18,19)10-4-1-2-5-10/h3,6,8,10H,1-2,4-5,7,9H2,(H,14,17)(H,15,16).
What are the key properties of 3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide?
3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide has a molecular weight of 298.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 51101063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).