2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide

C16H28O2S — CID 176602962

IUPAC2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide
SMILESCCC1(CCCOC=C2CCCC2)CCCCS1=O
InChIInChI=1S/C16H28O2S/c1-2-16(10-5-6-13-19(16)17)11-7-12-18-14-15-8-3-4-9-15/h14H,2-13H2,1H3
InChIKeyXARJDNUOKWUICN-UHFFFAOYSA-N
MW284.46 g/mol
LogP4.32
Rot. Bonds6

About 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide

2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide (PubChem CID 176602962) has the molecular formula C16H28O2S and a molecular weight of 284.46 g/mol. Its IUPAC name is 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide.

Molecular Properties

Compound Name2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide
PubChem CID176602962
Molecular FormulaC16H28O2S
Molecular Weight284.46 g/mol
Exact Mass284.18
IUPAC Name2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide
SMILESCCC1(CCCOC=C2CCCC2)CCCCS1=O
InChIInChI=1S/C16H28O2S/c1-2-16(10-5-6-13-19(16)17)11-7-12-18-14-15-8-3-4-9-15/h14H,2-13H2,1H3
InChIKeyXARJDNUOKWUICN-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiane 1-oxide
CID 176602905
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602911
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide
CID 176602952
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603004
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide
CID 176603053
3-[3-(Cyclopentylidenemethoxy)propyl]thiepane 1,1-dioxide
CID 176603080
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
CID 176603112
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiane 1-oxide
CID 176603126
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiepane 1-oxide
CID 176603140
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane 1-oxide
CID 176603176
3-(Cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide
CID 176603214

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide?
The IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide (CID 176602962) is 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide.
What is the SMILES notation for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide?
The canonical SMILES for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide is CCC1(CCCOC=C2CCCC2)CCCCS1=O.
What is the InChIKey of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide?
The InChIKey is XARJDNUOKWUICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2S/c1-2-16(10-5-6-13-19(16)17)11-7-12-18-14-15-8-3-4-9-15/h14H,2-13H2,1H3.
What are the key properties of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide?
2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide has a molecular weight of 284.46 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide is sourced from PubChem (CID 176602962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).