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

C14H24O3S — CID 176604322

IUPAC3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1,1-dioxide
SMILESCCC1(COC=C2CCCC2)CCCS(=O)(=O)C1
InChIInChI=1S/C14H24O3S/c1-2-14(8-5-9-18(15,16)12-14)11-17-10-13-6-3-4-7-13/h10H,2-9,11-12H2,1H3
InChIKeyKFRHXZKNOXTXDJ-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.07
Rot. Bonds4

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

3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1,1-dioxide (PubChem CID 176604322) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1,1-dioxide.

Molecular Properties

Compound Name3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1,1-dioxide
PubChem CID176604322
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Name3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1,1-dioxide
SMILESCCC1(COC=C2CCCC2)CCCS(=O)(=O)C1
InChIInChI=1S/C14H24O3S/c1-2-14(8-5-9-18(15,16)12-14)11-17-10-13-6-3-4-7-13/h10H,2-9,11-12H2,1H3
InChIKeyKFRHXZKNOXTXDJ-UHFFFAOYSA-N
XLogP3.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1,1-dioxide?
The IUPAC name of 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1,1-dioxide (CID 176604322) is 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1,1-dioxide.
What is the SMILES notation for 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1,1-dioxide?
The canonical SMILES for 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1,1-dioxide is CCC1(COC=C2CCCC2)CCCS(=O)(=O)C1.
What is the InChIKey of 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1,1-dioxide?
The InChIKey is KFRHXZKNOXTXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S/c1-2-14(8-5-9-18(15,16)12-14)11-17-10-13-6-3-4-7-13/h10H,2-9,11-12H2,1H3.
What are the key properties of 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1,1-dioxide?
3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1,1-dioxide has a molecular weight of 272.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1,1-dioxide is sourced from PubChem (CID 176604322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).