(2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine

C6H10F3NO2S — CID 86276438

IUPAC(2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESC[C@H]1CCCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c1-5-3-2-4-10(5)13(11,12)6(7,8)9/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyJZFTVTAZPUXATR-YFKPBYRVSA-N
MW217.21 g/mol
LogP1.32
Rot. Bonds1

About (2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine

(2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine (PubChem CID 86276438) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is (2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine
PubChem CID86276438
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name(2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESC[C@H]1CCCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c1-5-3-2-4-10(5)13(11,12)6(7,8)9/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyJZFTVTAZPUXATR-YFKPBYRVSA-N
XLogP1.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine 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 (2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The IUPAC name of (2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine (CID 86276438) is (2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine.
What is the SMILES notation for (2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The canonical SMILES for (2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine is C[C@H]1CCCN1S(=O)(=O)C(F)(F)F.
What is the InChIKey of (2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The InChIKey is JZFTVTAZPUXATR-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c1-5-3-2-4-10(5)13(11,12)6(7,8)9/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine?
(2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine has a molecular weight of 217.21 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(trifluoromethylsulfonyl)pyrrolidine is sourced from PubChem (CID 86276438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).