4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide

C14H24O3S — CID 176603854

IUPAC4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
SMILESCC(OC=C1CCCCC1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C14H24O3S/c1-12(14-7-9-18(15,16)10-8-14)17-11-13-5-3-2-4-6-13/h11-12,14H,2-10H2,1H3
InChIKeyYRYZXXNJACXAQA-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.06
Rot. Bonds3

About 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide

4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide (PubChem CID 176603854) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
PubChem CID176603854
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Name4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
SMILESCC(OC=C1CCCCC1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C14H24O3S/c1-12(14-7-9-18(15,16)10-8-14)17-11-13-5-3-2-4-6-13/h11-12,14H,2-10H2,1H3
InChIKeyYRYZXXNJACXAQA-UHFFFAOYSA-N
XLogP3.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 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-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176602954
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1,1-dioxide
CID 176602974
4-(Cyclohexylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176602986
2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603009
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176603063
3-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
4-(Cyclopentylidenemethoxymethyl)thiane 1,1-dioxide
CID 176603172
3-[1-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603178
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide
CID 176603185
2-[1-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane 1,1,4,4-tetraoxide
CID 176603321
4-(Cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide
CID 176603353

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide?
The IUPAC name of 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide (CID 176603854) is 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide?
The canonical SMILES for 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide is CC(OC=C1CCCCC1)C1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide?
The InChIKey is YRYZXXNJACXAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S/c1-12(14-7-9-18(15,16)10-8-14)17-11-13-5-3-2-4-6-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide?
4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide has a molecular weight of 272.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide is sourced from PubChem (CID 176603854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).