1-methyl-3-phenylsulfanylpyrrolidin-2-one

C11H13NOS — CID 11148452

IUPAC1-methyl-3-phenylsulfanylpyrrolidin-2-one
SMILESCN1CCC(Sc2ccccc2)C1=O
InChIInChI=1S/C11H13NOS/c1-12-8-7-10(11(12)13)14-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyYDSVFOLUFPDABU-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.01
Rot. Bonds2

About 1-methyl-3-phenylsulfanylpyrrolidin-2-one

1-methyl-3-phenylsulfanylpyrrolidin-2-one (PubChem CID 11148452) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-methyl-3-phenylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-phenylsulfanylpyrrolidin-2-one
PubChem CID11148452
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name1-methyl-3-phenylsulfanylpyrrolidin-2-one
SMILESCN1CCC(Sc2ccccc2)C1=O
InChIInChI=1S/C11H13NOS/c1-12-8-7-10(11(12)13)14-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyYDSVFOLUFPDABU-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylsulfanylpyrrolidin-2-one?
The IUPAC name of 1-methyl-3-phenylsulfanylpyrrolidin-2-one (CID 11148452) is 1-methyl-3-phenylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-phenylsulfanylpyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-phenylsulfanylpyrrolidin-2-one is CN1CCC(Sc2ccccc2)C1=O.
What is the InChIKey of 1-methyl-3-phenylsulfanylpyrrolidin-2-one?
The InChIKey is YDSVFOLUFPDABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-12-8-7-10(11(12)13)14-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of 1-methyl-3-phenylsulfanylpyrrolidin-2-one?
1-methyl-3-phenylsulfanylpyrrolidin-2-one has a molecular weight of 207.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 11148452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).