cis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol

C12H16OS — CID 11117279

IUPACcis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol
SMILESO[C@H]1CCC[C@@H](Sc2ccccc2)C1
InChIInChI=1S/C12H16OS/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-3,6-7,10,12-13H,4-5,8-9H2/t10-,12+/m0/s1
InChIKeyBGXAQIXMMBOYTH-CMPLNLGQSA-N
MW208.33 g/mol
LogP3.08
Rot. Bonds2

About cis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol

cis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol (PubChem CID 11117279) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is cis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol
PubChem CID11117279
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Namecis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol
SMILESO[C@H]1CCC[C@@H](Sc2ccccc2)C1
InChIInChI=1S/C12H16OS/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-3,6-7,10,12-13H,4-5,8-9H2/t10-,12+/m0/s1
InChIKeyBGXAQIXMMBOYTH-CMPLNLGQSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1S,3R)-3-phenylsulfanylcyclohexan-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

[(1R,3S)-3-phenylsulfanylcyclohexyl] acetate
CID 10890339
3-phenylsulfanylcyclobutan-1-amine
CID 117033262
trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine
CID 101053357
(1R,2R,5S)-2-methoxy-2-methyl-5-phenylsulfanylcyclohexan-1-ol
CID 164781534
3-methylsulfanylcyclohexan-1-ol
CID 123410545
1-methyl-3-phenylsulfanylpiperidine
CID 142412320
3-phenoxycyclohexan-1-ol
CID 79617811
trans-(1R,3R)-3-phenylcycloheptan-1-ol
CID 95376716
(6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 101098846
N-(3-chloro-4-fluorophenyl)-3-[(3R)-3-hydroxycycloheptyl]sulfanylbenzamide
CID 121370723
N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide
CID 71786219
[(3S,4R)-3,4-diethylcyclopentyl]sulfanylbenzene
CID 134454735

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol?
The IUPAC name of cis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol (CID 11117279) is cis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol is O[C@H]1CCC[C@@H](Sc2ccccc2)C1.
What is the InChIKey of cis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol?
The InChIKey is BGXAQIXMMBOYTH-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H16OS/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-3,6-7,10,12-13H,4-5,8-9H2/t10-,12+/m0/s1.
What are the key properties of cis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol?
cis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol has a molecular weight of 208.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol is sourced from PubChem (CID 11117279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).