3-[1-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide

C13H22O3S — CID 176603111

IUPAC3-[1-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
SMILESCC(OC=C1CCCC1)C1CCCS(=O)(=O)C1
InChIInChI=1S/C13H22O3S/c1-11(16-9-12-5-2-3-6-12)13-7-4-8-17(14,15)10-13/h9,11,13H,2-8,10H2,1H3
InChIKeyJHXYDVLAJKLKTE-UHFFFAOYSA-N
MW258.38 g/mol
LogP2.67
Rot. Bonds3

About 3-[1-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide

3-[1-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide (PubChem CID 176603111) has the molecular formula C13H22O3S and a molecular weight of 258.38 g/mol. Its IUPAC name is 3-[1-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name3-[1-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
PubChem CID176603111
Molecular FormulaC13H22O3S
Molecular Weight258.38 g/mol
Exact Mass258.13
IUPAC Name3-[1-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
SMILESCC(OC=C1CCCC1)C1CCCS(=O)(=O)C1
InChIInChI=1S/C13H22O3S/c1-11(16-9-12-5-2-3-6-12)13-7-4-8-17(14,15)10-13/h9,11,13H,2-8,10H2,1H3
InChIKeyJHXYDVLAJKLKTE-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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

2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176603063
3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
CID 176603083
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide
CID 176603101
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
CID 176603112
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176603119
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiane 1-oxide
CID 176603126
4-(Cyclopentylidenemethoxymethyl)thiane 1,1-dioxide
CID 176603172
3-[1-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603178
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiirane 1,1-dioxide
CID 176603183
3-(Cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide
CID 176603214
3-(Cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide
CID 176603237

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide?
The IUPAC name of 3-[1-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide (CID 176603111) is 3-[1-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide.
What is the SMILES notation for 3-[1-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide?
The canonical SMILES for 3-[1-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide is CC(OC=C1CCCC1)C1CCCS(=O)(=O)C1.
What is the InChIKey of 3-[1-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide?
The InChIKey is JHXYDVLAJKLKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3S/c1-11(16-9-12-5-2-3-6-12)13-7-4-8-17(14,15)10-13/h9,11,13H,2-8,10H2,1H3.
What are the key properties of 3-[1-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide?
3-[1-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide has a molecular weight of 258.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide is sourced from PubChem (CID 176603111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).