4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide

C13H22O3S — CID 176603248

IUPAC4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
SMILESCC1(COC=C2CCCC2)CCS(=O)(=O)CC1
InChIInChI=1S/C13H22O3S/c1-13(6-8-17(14,15)9-7-13)11-16-10-12-4-2-3-5-12/h10H,2-9,11H2,1H3
InChIKeyGAOVCQLIOGOBJH-UHFFFAOYSA-N
MW258.38 g/mol
LogP2.68
Rot. Bonds3

About 4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide

4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide (PubChem CID 176603248) has the molecular formula C13H22O3S and a molecular weight of 258.38 g/mol. Its IUPAC name is 4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide.

Molecular Properties

Compound Name4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
PubChem CID176603248
Molecular FormulaC13H22O3S
Molecular Weight258.38 g/mol
Exact Mass258.13
IUPAC Name4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
SMILESCC1(COC=C2CCCC2)CCS(=O)(=O)CC1
InChIInChI=1S/C13H22O3S/c1-13(6-8-17(14,15)9-7-13)11-16-10-12-4-2-3-5-12/h10H,2-9,11H2,1H3
InChIKeyGAOVCQLIOGOBJH-UHFFFAOYSA-N
XLogP2.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(cyclopentylidenemethoxymethyl)-4-methylthiane 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

4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1-oxide
CID 176605172
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
CID 176604994
3-(cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide
CID 176603703
2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603682
3-(cyclohexylidenemethoxymethyl)-3-methylthiane 1-oxide
CID 176603125
2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604727
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide
CID 176604961
2-(cyclohexylidenemethoxymethyl)-2-methylthiane
CID 176605246
2-(cyclohexylidenemethoxymethyl)-2-methylthiolane 1-oxide
CID 176604351
3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603077
2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide
CID 176605037

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide?
The IUPAC name of 4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide (CID 176603248) is 4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide.
What is the SMILES notation for 4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide?
The canonical SMILES for 4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide is CC1(COC=C2CCCC2)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide?
The InChIKey is GAOVCQLIOGOBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3S/c1-13(6-8-17(14,15)9-7-13)11-16-10-12-4-2-3-5-12/h10H,2-9,11H2,1H3.
What are the key properties of 4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide?
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide has a molecular weight of 258.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide is sourced from PubChem (CID 176603248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).