1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one

C17H17NOS — CID 123241673

IUPAC1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NOS/c19-16-12-7-13-18(16)17(14-8-3-1-4-9-14)20-15-10-5-2-6-11-15/h1-6,8-11,17H,7,12-13H2
InChIKeyIUXGXRIHNSNPRA-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.10
Rot. Bonds4

About 1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one

1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one (PubChem CID 123241673) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one
PubChem CID123241673
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NOS/c19-16-12-7-13-18(16)17(14-8-3-1-4-9-14)20-15-10-5-2-6-11-15/h1-6,8-11,17H,7,12-13H2
InChIKeyIUXGXRIHNSNPRA-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one (CID 123241673) is 1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one is O=C1CCCN1C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one?
The InChIKey is IUXGXRIHNSNPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c19-16-12-7-13-18(16)17(14-8-3-1-4-9-14)20-15-10-5-2-6-11-15/h1-6,8-11,17H,7,12-13H2.
What are the key properties of 1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one?
1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one has a molecular weight of 283.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 123241673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).