1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one

C16H15NOS — CID 168709962

IUPAC1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15NOS/c18-16-10-15(19)11-17(16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,19H,10-11H2
InChIKeyDHJHYMRSMWCKIL-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.39
Rot. Bonds2

About 1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one

1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168709962) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one
PubChem CID168709962
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15NOS/c18-16-10-15(19)11-17(16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,19H,10-11H2
InChIKeyDHJHYMRSMWCKIL-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709982
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
1-(4-propan-2-ylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708079
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride
CID 50873745
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715472
1-[4-(4-methylphenoxy)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708858
1-[4-(1,3,4-oxadiazol-2-yl)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168709965
1-(3-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710578
4-[4-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]butanoic acid
CID 168710489
1-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710808
1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one
CID 168710654
1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one
CID 168709956

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one (CID 168709962) is 1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is DHJHYMRSMWCKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c18-16-10-15(19)11-17(16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,19H,10-11H2.
What are the key properties of 1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one?
1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 269.37 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168709962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).