3-[3-(cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide

C13H22O3S — CID 176603258

IUPAC3-[3-(cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CCCOC=C2CCCC2)C1
InChIInChI=1S/C13H22O3S/c14-17(15)9-7-13(11-17)6-3-8-16-10-12-4-1-2-5-12/h10,13H,1-9,11H2
InChIKeyRKZVLEYSWKRRED-UHFFFAOYSA-N
MW258.38 g/mol
LogP2.68
Rot. Bonds5

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

3-[3-(cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide (PubChem CID 176603258) has the molecular formula C13H22O3S and a molecular weight of 258.38 g/mol. Its IUPAC name is 3-[3-(cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[3-(cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide
PubChem CID176603258
Molecular FormulaC13H22O3S
Molecular Weight258.38 g/mol
Exact Mass258.13
IUPAC Name3-[3-(cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CCCOC=C2CCCC2)C1
InChIInChI=1S/C13H22O3S/c14-17(15)9-7-13(11-17)6-3-8-16-10-12-4-1-2-5-12/h10,13H,1-9,11H2
InChIKeyRKZVLEYSWKRRED-UHFFFAOYSA-N
XLogP2.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
3-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
CID 176603112
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603171
4-(Cyclopentylidenemethoxymethyl)thiane 1,1-dioxide
CID 176603172
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiirane 1,1-dioxide
CID 176603183
3-[2-(Cyclopentylidenemethoxy)ethyl]thiepane 1,1-dioxide
CID 176603218
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane 1-oxide
CID 176603289
3-[2-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603294
3-[3-(Cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide
CID 176603297

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide (CID 176603258) is 3-[3-(cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[3-(cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[3-(cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide is O=S1(=O)CCC(CCCOC=C2CCCC2)C1.
What is the InChIKey of 3-[3-(cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide?
The InChIKey is RKZVLEYSWKRRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3S/c14-17(15)9-7-13(11-17)6-3-8-16-10-12-4-1-2-5-12/h10,13H,1-9,11H2.
What are the key properties of 3-[3-(cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide?
3-[3-(cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide has a molecular weight of 258.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide is sourced from PubChem (CID 176603258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).