3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide

C15H26O3S — CID 176603208

IUPAC3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide
SMILESO=S1(=O)CCCCC(CCOC=C2CCCCC2)C1
InChIInChI=1S/C15H26O3S/c16-19(17)11-5-4-8-15(13-19)9-10-18-12-14-6-2-1-3-7-14/h12,15H,1-11,13H2
InChIKeyHYWYNLKLODVFHZ-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.46
Rot. Bonds4

About 3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide

3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide (PubChem CID 176603208) has the molecular formula C15H26O3S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide
PubChem CID176603208
Molecular FormulaC15H26O3S
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide
SMILESO=S1(=O)CCCCC(CCOC=C2CCCCC2)C1
InChIInChI=1S/C15H26O3S/c16-19(17)11-5-4-8-15(13-19)9-10-18-12-14-6-2-1-3-7-14/h12,15H,1-11,13H2
InChIKeyHYWYNLKLODVFHZ-UHFFFAOYSA-N
XLogP3.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide 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-(Cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide
CID 176602952
3-(Cyclohexylidenemethoxymethyl)-3-methylthiepane 1-oxide
CID 176602990
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiepane 1,1-dioxide
CID 176603007
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
3-[3-(Cyclopentylidenemethoxy)propyl]thiepane 1,1-dioxide
CID 176603080
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide
CID 176603094
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
CID 176603112
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiepane 1-oxide
CID 176603140
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane 1-oxide
CID 176603176
3-[2-(Cyclopentylidenemethoxy)ethyl]thiepane 1,1-dioxide
CID 176603218
3-[2-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603294
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiepane 1-oxide
CID 176603385

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide?
The IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide (CID 176603208) is 3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide.
What is the SMILES notation for 3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide?
The canonical SMILES for 3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide is O=S1(=O)CCCCC(CCOC=C2CCCCC2)C1.
What is the InChIKey of 3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide?
The InChIKey is HYWYNLKLODVFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3S/c16-19(17)11-5-4-8-15(13-19)9-10-18-12-14-6-2-1-3-7-14/h12,15H,1-11,13H2.
What are the key properties of 3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide?
3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide has a molecular weight of 286.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide is sourced from PubChem (CID 176603208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).