3-(cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide

C13H22O3S — CID 176603237

IUPAC3-(cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide
SMILESCC1(COC=C2CCCC2)CCCS(=O)(=O)C1
InChIInChI=1S/C13H22O3S/c1-13(7-4-8-17(14,15)11-13)10-16-9-12-5-2-3-6-12/h9H,2-8,10-11H2,1H3
InChIKeyPUCVXWGAAUEJCX-UHFFFAOYSA-N
MW258.38 g/mol
LogP2.68
Rot. Bonds3

About 3-(cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide

3-(cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide (PubChem CID 176603237) has the molecular formula C13H22O3S and a molecular weight of 258.38 g/mol. Its IUPAC name is 3-(cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide.

Molecular Properties

Compound Name3-(cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide
PubChem CID176603237
Molecular FormulaC13H22O3S
Molecular Weight258.38 g/mol
Exact Mass258.13
IUPAC Name3-(cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide
SMILESCC1(COC=C2CCCC2)CCCS(=O)(=O)C1
InChIInChI=1S/C13H22O3S/c1-13(7-4-8-17(14,15)11-13)10-16-9-12-5-2-3-6-12/h9H,2-8,10-11H2,1H3
InChIKeyPUCVXWGAAUEJCX-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'}

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Related Compounds

3-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane 1,1-dioxide
CID 176602925
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide
CID 176602963
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1,1-dioxide
CID 176602974
4-(Cyclohexylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176602986
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603077
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide
CID 176603101
3-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
CID 176603112
3-(Cyclohexylidenemethoxymethyl)-3-methylthiane 1-oxide
CID 176603125
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiane 1-oxide
CID 176603126
4-(Cyclopentylidenemethoxymethyl)thiane 1,1-dioxide
CID 176603172
3-(Cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide
CID 176603214

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide?
The IUPAC name of 3-(cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide (CID 176603237) is 3-(cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide.
What is the SMILES notation for 3-(cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide?
The canonical SMILES for 3-(cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide is CC1(COC=C2CCCC2)CCCS(=O)(=O)C1.
What is the InChIKey of 3-(cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide?
The InChIKey is PUCVXWGAAUEJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3S/c1-13(7-4-8-17(14,15)11-13)10-16-9-12-5-2-3-6-12/h9H,2-8,10-11H2,1H3.
What are the key properties of 3-(cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide?
3-(cyclopentylidenemethoxymethyl)-3-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 3-(cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide is sourced from PubChem (CID 176603237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).