3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C10H16F3NO2S — CID 111542572

IUPAC3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC(CO)CSC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C10H16F3NO2S/c1-7(4-15)5-17-8-2-3-14(9(8)16)6-10(11,12)13/h7-8,15H,2-6H2,1H3
InChIKeyYXVCQWZMZHDICP-UHFFFAOYSA-N
MW271.30 g/mol
LogP1.51
Rot. Bonds5

About 3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 111542572) has the molecular formula C10H16F3NO2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID111542572
Molecular FormulaC10H16F3NO2S
Molecular Weight271.30 g/mol
Exact Mass271.09
IUPAC Name3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC(CO)CSC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C10H16F3NO2S/c1-7(4-15)5-17-8-2-3-14(9(8)16)6-10(11,12)13/h7-8,15H,2-6H2,1H3
InChIKeyYXVCQWZMZHDICP-UHFFFAOYSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 111542572) is 3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CC(CO)CSC1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is YXVCQWZMZHDICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2S/c1-7(4-15)5-17-8-2-3-14(9(8)16)6-10(11,12)13/h7-8,15H,2-6H2,1H3.
What are the key properties of 3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 271.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 111542572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).