3-(3,4-dimethylcyclohexyl)thietan-3-ol

C11H20OS — CID 131097107

IUPAC3-(3,4-dimethylcyclohexyl)thietan-3-ol
SMILESCC1CCC(C2(O)CSC2)CC1C
InChIInChI=1S/C11H20OS/c1-8-3-4-10(5-9(8)2)11(12)6-13-7-11/h8-10,12H,3-7H2,1-2H3
InChIKeyKCLHHALDWDHMAX-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.54
Rot. Bonds1

About 3-(3,4-dimethylcyclohexyl)thietan-3-ol

3-(3,4-dimethylcyclohexyl)thietan-3-ol (PubChem CID 131097107) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)thietan-3-ol.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)thietan-3-ol
PubChem CID131097107
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name3-(3,4-dimethylcyclohexyl)thietan-3-ol
SMILESCC1CCC(C2(O)CSC2)CC1C
InChIInChI=1S/C11H20OS/c1-8-3-4-10(5-9(8)2)11(12)6-13-7-11/h8-10,12H,3-7H2,1-2H3
InChIKeyKCLHHALDWDHMAX-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,4-dimethylcyclohexyl)thietan-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-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol
CID 64756014
2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol
CID 64740981
3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine
CID 112563947
3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine
CID 112563346
(1R,3R,4S)-3,4-dimethylcyclohexan-1-ol
CID 6994302
3-cycloheptyl-5,5-dimethylthian-3-ol
CID 82928190
4-(3,4-dimethylcyclohexyl)oxane-4-carboxylic acid
CID 79425064
3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine
CID 116539144
(1R,2R,4S)-4-(1-adamantyl)-2-methylcyclohexan-1-ol
CID 125470602
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
1,2,4,7-tetramethylcyclononane
CID 123661715
1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine
CID 65086896

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)thietan-3-ol?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)thietan-3-ol (CID 131097107) is 3-(3,4-dimethylcyclohexyl)thietan-3-ol.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)thietan-3-ol?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)thietan-3-ol is CC1CCC(C2(O)CSC2)CC1C.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)thietan-3-ol?
The InChIKey is KCLHHALDWDHMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-8-3-4-10(5-9(8)2)11(12)6-13-7-11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)thietan-3-ol?
3-(3,4-dimethylcyclohexyl)thietan-3-ol has a molecular weight of 200.35 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)thietan-3-ol is sourced from PubChem (CID 131097107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).