1-(4-methylphenyl)sulfonyl-5-(piperidine-1-carbonyl)pyrrolidin-2-one

C17H22N2O4S — CID 2956252

IUPAC1-(4-methylphenyl)sulfonyl-5-(piperidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H22N2O4S/c1-13-5-7-14(8-6-13)24(22,23)19-15(9-10-16(19)20)17(21)18-11-3-2-4-12-18/h5-8,15H,2-4,9-12H2,1H3
InChIKeyNZNAGNWCLMLSPP-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.69
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-5-(piperidine-1-carbonyl)pyrrolidin-2-one

1-(4-methylphenyl)sulfonyl-5-(piperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 2956252) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-5-(piperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-5-(piperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID2956252
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name1-(4-methylphenyl)sulfonyl-5-(piperidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H22N2O4S/c1-13-5-7-14(8-6-13)24(22,23)19-15(9-10-16(19)20)17(21)18-11-3-2-4-12-18/h5-8,15H,2-4,9-12H2,1H3
InChIKeyNZNAGNWCLMLSPP-UHFFFAOYSA-N
XLogP1.69
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-5-(piperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-5-(piperidine-1-carbonyl)pyrrolidin-2-one (CID 2956252) is 1-(4-methylphenyl)sulfonyl-5-(piperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-5-(piperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-5-(piperidine-1-carbonyl)pyrrolidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-5-(piperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is NZNAGNWCLMLSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-13-5-7-14(8-6-13)24(22,23)19-15(9-10-16(19)20)17(21)18-11-3-2-4-12-18/h5-8,15H,2-4,9-12H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-5-(piperidine-1-carbonyl)pyrrolidin-2-one?
1-(4-methylphenyl)sulfonyl-5-(piperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 350.44 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-5-(piperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 2956252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).