3-[2-(cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide

C12H20O3S — CID 176603092

IUPAC3-[2-(cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CCOC=C2CCCC2)C1
InChIInChI=1S/C12H20O3S/c13-16(14)8-6-12(10-16)5-7-15-9-11-3-1-2-4-11/h9,12H,1-8,10H2
InChIKeyJIRZBYHHQHBVME-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.29
Rot. Bonds4

About 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide

3-[2-(cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide (PubChem CID 176603092) has the molecular formula C12H20O3S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide
PubChem CID176603092
Molecular FormulaC12H20O3S
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Name3-[2-(cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CCOC=C2CCCC2)C1
InChIInChI=1S/C12H20O3S/c13-16(14)8-6-12(10-16)5-7-15-9-11-3-1-2-4-11/h9,12H,1-8,10H2
InChIKeyJIRZBYHHQHBVME-UHFFFAOYSA-N
XLogP2.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.29
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-[1-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603029
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide
CID 176603101
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
3-[3-(Cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide
CID 176603258
3-[2-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603294
3-[3-(Cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide
CID 176603297
3-[2-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176603445
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603559
3-(Cyclopentylidenemethoxymethyl)thiane 1-oxide
CID 176603589
3-(Cyclopentylidenemethoxymethyl)-3-ethylthiolane 1,1-dioxide
CID 176603679

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide (CID 176603092) is 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide is O=S1(=O)CCC(CCOC=C2CCCC2)C1.
What is the InChIKey of 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide?
The InChIKey is JIRZBYHHQHBVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3S/c13-16(14)8-6-12(10-16)5-7-15-9-11-3-1-2-4-11/h9,12H,1-8,10H2.
What are the key properties of 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide?
3-[2-(cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide has a molecular weight of 244.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide is sourced from PubChem (CID 176603092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).