1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol

C14H28O3S — CID 65147372

IUPAC1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol
SMILESCCS(=O)(=O)CCCC1(O)CC(C)CC(C)(C)C1
InChIInChI=1S/C14H28O3S/c1-5-18(16,17)8-6-7-14(15)10-12(2)9-13(3,4)11-14/h12,15H,5-11H2,1-4H3
InChIKeyOQFIINDTZPNODS-UHFFFAOYSA-N
MW276.44 g/mol
LogP2.78
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol

1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol (PubChem CID 65147372) has the molecular formula C14H28O3S and a molecular weight of 276.44 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol
PubChem CID65147372
Molecular FormulaC14H28O3S
Molecular Weight276.44 g/mol
Exact Mass276.18
IUPAC Name1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol
SMILESCCS(=O)(=O)CCCC1(O)CC(C)CC(C)(C)C1
InChIInChI=1S/C14H28O3S/c1-5-18(16,17)8-6-7-14(15)10-12(2)9-13(3,4)11-14/h12,15H,5-11H2,1-4H3
InChIKeyOQFIINDTZPNODS-UHFFFAOYSA-N
XLogP2.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-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

1-(Ethylsulfonylmethyl)cyclohexan-1-ol
CID 97251290
1-(3-Methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 65153648
1-(2-Methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 65153754
1-(3-Ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 65153756
3-(2-Methylsulfonylethyl)bicyclo[3.2.1]octan-3-ol
CID 57931180
1-(Tert-butylsulfonylmethyl)cyclohexan-1-ol
CID 70321772
4-(2,2-Dimethylpentyl)-1,1-dioxothian-4-ol
CID 126656791
1-(2-Methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol
CID 62708268
1-(3-Methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-ol
CID 63192610
3-(3-Methylcyclohexyl)-1,1-dioxothiolan-3-ol
CID 64251229
3-(3-Ethylcyclohexyl)-1,1-dioxothiolan-3-ol
CID 64251230
3-(3,5-Dimethylcyclohexyl)-1,1-dioxothiolan-3-ol
CID 64731068

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol (CID 65147372) is 1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol is CCS(=O)(=O)CCCC1(O)CC(C)CC(C)(C)C1.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol?
The InChIKey is OQFIINDTZPNODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3S/c1-5-18(16,17)8-6-7-14(15)10-12(2)9-13(3,4)11-14/h12,15H,5-11H2,1-4H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol?
1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol has a molecular weight of 276.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol is sourced from PubChem (CID 65147372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).