(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol

C12H14F3NO4S — CID 107225119

IUPAC(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol
SMILESO=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@H](O)C1
InChIInChI=1S/C12H14F3NO4S/c13-12(14,15)20-10-4-1-5-11(7-10)21(18,19)16-6-2-3-9(17)8-16/h1,4-5,7,9,17H,2-3,6,8H2/t9-/m0/s1
InChIKeyFCCNRNKWEZKKLU-VIFPVBQESA-N
MW325.31 g/mol
LogP1.73
Rot. Bonds3

About (3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol

(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol (PubChem CID 107225119) has the molecular formula C12H14F3NO4S and a molecular weight of 325.31 g/mol. Its IUPAC name is (3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol
PubChem CID107225119
Molecular FormulaC12H14F3NO4S
Molecular Weight325.31 g/mol
Exact Mass325.06
IUPAC Name(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol
SMILESO=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@H](O)C1
InChIInChI=1S/C12H14F3NO4S/c13-12(14,15)20-10-4-1-5-11(7-10)21(18,19)16-6-2-3-9(17)8-16/h1,4-5,7,9,17H,2-3,6,8H2/t9-/m0/s1
InChIKeyFCCNRNKWEZKKLU-VIFPVBQESA-N
XLogP1.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-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-aminoethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide
CID 119971426
(3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol
CID 166824771
(3S)-3-methyl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 104976476
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
N-methyl-1-[(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine
CID 124686558
3-methyl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine;hydrochloride
CID 119982212
1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 58973484
2-[3-(trifluoromethoxy)phenyl]sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 120584000
1-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975025
N-(cyclopropylmethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987824
1-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 31937683
(4-methylphenyl)-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanone
CID 55913562

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol?
The IUPAC name of (3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol (CID 107225119) is (3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol.
What is the SMILES notation for (3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol?
The canonical SMILES for (3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol is O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol?
The InChIKey is FCCNRNKWEZKKLU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14F3NO4S/c13-12(14,15)20-10-4-1-5-11(7-10)21(18,19)16-6-2-3-9(17)8-16/h1,4-5,7,9,17H,2-3,6,8H2/t9-/m0/s1.
What are the key properties of (3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol?
(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol has a molecular weight of 325.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol is sourced from PubChem (CID 107225119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).