2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone

C12H18F3NO3S — CID 164642748

IUPAC2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(CS(=O)(=O)C1CCCC1)N1CC[C@H](C(F)(F)F)C1
InChIInChI=1S/C12H18F3NO3S/c13-12(14,15)9-5-6-16(7-9)11(17)8-20(18,19)10-3-1-2-4-10/h9-10H,1-8H2/t9-/m0/s1
InChIKeyXUIVPURFLJOXDD-VIFPVBQESA-N
MW313.34 g/mol
LogP1.75
Rot. Bonds3

About 2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone

2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone (PubChem CID 164642748) has the molecular formula C12H18F3NO3S and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
PubChem CID164642748
Molecular FormulaC12H18F3NO3S
Molecular Weight313.34 g/mol
Exact Mass313.10
IUPAC Name2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(CS(=O)(=O)C1CCCC1)N1CC[C@H](C(F)(F)F)C1
InChIInChI=1S/C12H18F3NO3S/c13-12(14,15)9-5-6-16(7-9)11(17)8-20(18,19)10-3-1-2-4-10/h9-10H,1-8H2/t9-/m0/s1
InChIKeyXUIVPURFLJOXDD-VIFPVBQESA-N
XLogP1.75
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone 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 2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone (CID 164642748) is 2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone is O=C(CS(=O)(=O)C1CCCC1)N1CC[C@H](C(F)(F)F)C1.
What is the InChIKey of 2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is XUIVPURFLJOXDD-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18F3NO3S/c13-12(14,15)9-5-6-16(7-9)11(17)8-20(18,19)10-3-1-2-4-10/h9-10H,1-8H2/t9-/m0/s1.
What are the key properties of 2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 313.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 164642748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).