2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol

C13H17F3N2O3S — CID 129398349

IUPAC2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H17F3N2O3S/c1-12(2,19)11-4-3-7-18(11)22(20,21)9-5-6-10(17-8-9)13(14,15)16/h5-6,8,11,19H,3-4,7H2,1-2H3/t11-/m0/s1
InChIKeyOVXHLCIOXUZAMU-NSHDSACASA-N
MW338.35 g/mol
LogP2.02
Rot. Bonds3

About 2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol

2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 129398349) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol
PubChem CID129398349
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC Name2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H17F3N2O3S/c1-12(2,19)11-4-3-7-18(11)22(20,21)9-5-6-10(17-8-9)13(14,15)16/h5-6,8,11,19H,3-4,7H2,1-2H3/t11-/m0/s1
InChIKeyOVXHLCIOXUZAMU-NSHDSACASA-N
XLogP2.02
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84600539
7-Methyl-6-[(6-methyl-3-pyridinyl)sulfonyl]-6-azaspiro[3.4]octane
CID 128120055
5-fluoro-N-[(2S)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide
CID 97325982
[(2S)-4,4-difluoro-1-(1-pyridin-3-ylsulfonylazetidin-3-yl)pyrrolidin-2-yl]methanol
CID 132430497
2-(1,1,1-Trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 66730558
2-(1,1,1-Trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide
CID 66730612
2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 68758162
2-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 68758403
(3R)-3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 134378335
3-(Hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol
CID 142309433
3-[2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl-4-(trifluoromethyl)pyridine
CID 143128436
(3S)-3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 156567138

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol (CID 129398349) is 2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol is CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is OVXHLCIOXUZAMU-NSHDSACASA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c1-12(2,19)11-4-3-7-18(11)22(20,21)9-5-6-10(17-8-9)13(14,15)16/h5-6,8,11,19H,3-4,7H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol?
2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 338.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 129398349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).