1-[1-(4-methylphenyl)sulfonyl-2-oxopropyl]pyrrolidin-2-one

C14H17NO4S — CID 15836334

IUPAC1-[1-(4-methylphenyl)sulfonyl-2-oxopropyl]pyrrolidin-2-one
SMILESCC(=O)C(N1CCCC1=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H17NO4S/c1-10-5-7-12(8-6-10)20(18,19)14(11(2)16)15-9-3-4-13(15)17/h5-8,14H,3-4,9H2,1-2H3
InChIKeyPNZRSDIOFNWTFY-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.31
Rot. Bonds4

About 1-[1-(4-methylphenyl)sulfonyl-2-oxopropyl]pyrrolidin-2-one

1-[1-(4-methylphenyl)sulfonyl-2-oxopropyl]pyrrolidin-2-one (PubChem CID 15836334) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)sulfonyl-2-oxopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)sulfonyl-2-oxopropyl]pyrrolidin-2-one
PubChem CID15836334
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name1-[1-(4-methylphenyl)sulfonyl-2-oxopropyl]pyrrolidin-2-one
SMILESCC(=O)C(N1CCCC1=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H17NO4S/c1-10-5-7-12(8-6-10)20(18,19)14(11(2)16)15-9-3-4-13(15)17/h5-8,14H,3-4,9H2,1-2H3
InChIKeyPNZRSDIOFNWTFY-UHFFFAOYSA-N
XLogP1.31
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)sulfonyl-2-oxopropyl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(4-methylphenyl)sulfonyl-2-oxopropyl]pyrrolidin-2-one (CID 15836334) is 1-[1-(4-methylphenyl)sulfonyl-2-oxopropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(4-methylphenyl)sulfonyl-2-oxopropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(4-methylphenyl)sulfonyl-2-oxopropyl]pyrrolidin-2-one is CC(=O)C(N1CCCC1=O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)sulfonyl-2-oxopropyl]pyrrolidin-2-one?
The InChIKey is PNZRSDIOFNWTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-10-5-7-12(8-6-10)20(18,19)14(11(2)16)15-9-3-4-13(15)17/h5-8,14H,3-4,9H2,1-2H3.
What are the key properties of 1-[1-(4-methylphenyl)sulfonyl-2-oxopropyl]pyrrolidin-2-one?
1-[1-(4-methylphenyl)sulfonyl-2-oxopropyl]pyrrolidin-2-one has a molecular weight of 295.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)sulfonyl-2-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 15836334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).