5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one

C15H22N2O3S — CID 60958990

IUPAC5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one
SMILESCC1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)C2CCCCC12
InChIInChI=1S/C15H22N2O3S/c1-11-8-9-17(14-5-3-2-4-13(11)14)21(19,20)12-6-7-15(18)16-10-12/h6-7,10-11,13-14H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyYWFNBAFPQMQKCU-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.96
Rot. Bonds2

About 5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one

5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one (PubChem CID 60958990) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one
PubChem CID60958990
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one
SMILESCC1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)C2CCCCC12
InChIInChI=1S/C15H22N2O3S/c1-11-8-9-17(14-5-3-2-4-13(11)14)21(19,20)12-6-7-15(18)16-10-12/h6-7,10-11,13-14H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyYWFNBAFPQMQKCU-UHFFFAOYSA-N
XLogP1.96
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one (CID 60958990) is 5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one is CC1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)C2CCCCC12.
What is the InChIKey of 5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one?
The InChIKey is YWFNBAFPQMQKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-8-9-17(14-5-3-2-4-13(11)14)21(19,20)12-6-7-15(18)16-10-12/h6-7,10-11,13-14H,2-5,8-9H2,1H3,(H,16,18).
What are the key properties of 5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one?
5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one has a molecular weight of 310.42 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one is sourced from PubChem (CID 60958990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).