4-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide

C14H24O3S — CID 176603112

IUPAC4-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCC(CCCOC=C2CCCC2)CC1
InChIInChI=1S/C14H24O3S/c15-18(16)10-7-13(8-11-18)6-3-9-17-12-14-4-1-2-5-14/h12-13H,1-11H2
InChIKeyXQYLREUFTZGMGC-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.07
Rot. Bonds5

About 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide

4-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide (PubChem CID 176603112) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
PubChem CID176603112
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Name4-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCC(CCCOC=C2CCCC2)CC1
InChIInChI=1S/C14H24O3S/c15-18(16)10-7-13(8-11-18)6-3-9-17-12-14-4-1-2-5-14/h12-13H,1-11H2
InChIKeyXQYLREUFTZGMGC-UHFFFAOYSA-N
XLogP3.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602962
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1,1-dioxide
CID 176602974
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603043
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603077
3-[3-(Cyclopentylidenemethoxy)propyl]thiepane 1,1-dioxide
CID 176603080
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide
CID 176603092
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide
CID 176603101
3-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide?
The IUPAC name of 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide (CID 176603112) is 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide?
The canonical SMILES for 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide is O=S1(=O)CCC(CCCOC=C2CCCC2)CC1.
What is the InChIKey of 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide?
The InChIKey is XQYLREUFTZGMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S/c15-18(16)10-7-13(8-11-18)6-3-9-17-12-14-4-1-2-5-14/h12-13H,1-11H2.
What are the key properties of 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide?
4-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide has a molecular weight of 272.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide is sourced from PubChem (CID 176603112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).