(1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol

C16H24O3S — CID 15444149

IUPAC(1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol
SMILESCC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H24O3S/c1-16(2,3)12-9-10-14(17)15(11-12)20(18,19)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14-,15+/m1/s1
InChIKeyNAXNHUNMMFREPJ-YUELXQCFSA-N
MW296.43 g/mol
LogP3.04
Rot. Bonds2

About (1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol

(1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol (PubChem CID 15444149) has the molecular formula C16H24O3S and a molecular weight of 296.43 g/mol. Its IUPAC name is (1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol
PubChem CID15444149
Molecular FormulaC16H24O3S
Molecular Weight296.43 g/mol
Exact Mass296.14
IUPAC Name(1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol
SMILESCC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H24O3S/c1-16(2,3)12-9-10-14(17)15(11-12)20(18,19)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14-,15+/m1/s1
InChIKeyNAXNHUNMMFREPJ-YUELXQCFSA-N
XLogP3.04
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-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

2-(benzenesulfonyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 62916353
2-(benzenesulfonyl)-4-tert-butylcyclohexane-1-carbonitrile
CID 64689938
2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol
CID 62917891
cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
CID 11746739
(1R,2R,5R)-2-(benzenesulfonyl)-5-methylcyclohexan-1-ol
CID 164781537
(1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol
CID 10911682
4-(benzenesulfonyl)-6-methyloxan-3-ol
CID 101176023
1-[2-(benzenesulfonyl)cyclopropyl]ethanone
CID 24975351
4-tert-butyl-2-phenoxycyclohexan-1-ol
CID 13083812
(1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol
CID 134851206
cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine
CID 99999285
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol?
The IUPAC name of (1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol (CID 15444149) is (1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol is CC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol?
The InChIKey is NAXNHUNMMFREPJ-YUELXQCFSA-N. The full InChI is InChI=1S/C16H24O3S/c1-16(2,3)12-9-10-14(17)15(11-12)20(18,19)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14-,15+/m1/s1.
What are the key properties of (1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol?
(1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol has a molecular weight of 296.43 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol is sourced from PubChem (CID 15444149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).