(3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol

C13H19NO3S — CID 166824771

IUPAC(3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol
SMILESCCc1cccc(S(=O)(=O)N2CCC[C@@H](O)C2)c1
InChIInChI=1S/C13H19NO3S/c1-2-11-5-3-7-13(9-11)18(16,17)14-8-4-6-12(15)10-14/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3/t12-/m1/s1
InChIKeyTXZCEDFKLZSSAU-GFCCVEGCSA-N
MW269.37 g/mol
LogP1.39
Rot. Bonds3

About (3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol

(3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol (PubChem CID 166824771) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol
PubChem CID166824771
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name(3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol
SMILESCCc1cccc(S(=O)(=O)N2CCC[C@@H](O)C2)c1
InChIInChI=1S/C13H19NO3S/c1-2-11-5-3-7-13(9-11)18(16,17)14-8-4-6-12(15)10-14/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3/t12-/m1/s1
InChIKeyTXZCEDFKLZSSAU-GFCCVEGCSA-N
XLogP1.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(3-ethylphenyl)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

1-[1-(3-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961401
(3S)-1-(3-ethylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 124625888
1-(3-ethylphenyl)sulfonylpyrrolidine-3-carboxylic acid;hydrochloride
CID 120716574
(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol
CID 107225119
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol
CID 61435532
1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258512
[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)phenyl]methanol
CID 79937525
(3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 136580990
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
CID 43394280
(3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol
CID 107407173

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol?
The IUPAC name of (3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol (CID 166824771) is (3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for (3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for (3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol is CCc1cccc(S(=O)(=O)N2CCC[C@@H](O)C2)c1.
What is the InChIKey of (3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol?
The InChIKey is TXZCEDFKLZSSAU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-11-5-3-7-13(9-11)18(16,17)14-8-4-6-12(15)10-14/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol?
(3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol has a molecular weight of 269.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 166824771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).