1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)pyridin-2-one

C17H19NO3S — CID 75461661

IUPAC1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)pyridin-2-one
SMILESCn1ccc(CS(=O)(=O)C2CCCc3ccccc32)cc1=O
InChIInChI=1S/C17H19NO3S/c1-18-10-9-13(11-17(18)19)12-22(20,21)16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,9-11,16H,4,6,8,12H2,1H3
InChIKeyXRXSVDOBXKPFIY-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.38
Rot. Bonds3

About 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)pyridin-2-one

1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)pyridin-2-one (PubChem CID 75461661) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)pyridin-2-one
PubChem CID75461661
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)pyridin-2-one
SMILESCn1ccc(CS(=O)(=O)C2CCCc3ccccc32)cc1=O
InChIInChI=1S/C17H19NO3S/c1-18-10-9-13(11-17(18)19)12-22(20,21)16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,9-11,16H,4,6,8,12H2,1H3
InChIKeyXRXSVDOBXKPFIY-UHFFFAOYSA-N
XLogP2.38
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)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 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)pyridin-2-one?
The IUPAC name of 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)pyridin-2-one (CID 75461661) is 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)pyridin-2-one?
The canonical SMILES for 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)pyridin-2-one is Cn1ccc(CS(=O)(=O)C2CCCc3ccccc32)cc1=O.
What is the InChIKey of 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)pyridin-2-one?
The InChIKey is XRXSVDOBXKPFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-18-10-9-13(11-17(18)19)12-22(20,21)16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,9-11,16H,4,6,8,12H2,1H3.
What are the key properties of 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)pyridin-2-one?
1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)pyridin-2-one has a molecular weight of 317.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonylmethyl)pyridin-2-one is sourced from PubChem (CID 75461661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).