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

C16H28O2S — CID 176603359

IUPAC2-[3-(cyclopentylidenemethoxy)propyl]thiocane 1-oxide
SMILESO=S1CCCCCCC1CCCOC=C1CCCC1
InChIInChI=1S/C16H28O2S/c17-19-13-6-2-1-3-10-16(19)11-7-12-18-14-15-8-4-5-9-15/h14,16H,1-13H2
InChIKeyWWNFKEXXZWNMMX-UHFFFAOYSA-N
MW284.46 g/mol
LogP4.32
Rot. Bonds5

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

2-[3-(cyclopentylidenemethoxy)propyl]thiocane 1-oxide (PubChem CID 176603359) has the molecular formula C16H28O2S and a molecular weight of 284.46 g/mol. Its IUPAC name is 2-[3-(cyclopentylidenemethoxy)propyl]thiocane 1-oxide.

Molecular Properties

Compound Name2-[3-(cyclopentylidenemethoxy)propyl]thiocane 1-oxide
PubChem CID176603359
Molecular FormulaC16H28O2S
Molecular Weight284.46 g/mol
Exact Mass284.18
IUPAC Name2-[3-(cyclopentylidenemethoxy)propyl]thiocane 1-oxide
SMILESO=S1CCCCCCC1CCCOC=C1CCCC1
InChIInChI=1S/C16H28O2S/c17-19-13-6-2-1-3-10-16(19)11-7-12-18-14-15-8-4-5-9-15/h14,16H,1-13H2
InChIKeyWWNFKEXXZWNMMX-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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]thiocane 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

2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602962
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane 1-oxide
CID 176603176
2-[3-(Cyclohexylidenemethoxy)propyl]thiocane
CID 176603242
2-(Cyclohexylidenemethoxymethyl)thiocane 1-oxide
CID 176603347
2-(Cyclohexylidenemethoxymethyl)-2-methylthiocane 1-oxide
CID 176603360
2-[3-(Cyclohexylidenemethoxy)propyl]thiocane 1-oxide
CID 176603478
2-[2-(Cyclopentylidenemethoxy)ethyl]thiane 1-oxide
CID 176603483
2-[2-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603576
2-(Cyclopentylidenemethoxymethyl)thiocane 1,1-dioxide
CID 176603597
2-[3-(Cyclohexylidenemethoxy)propyl]thiolane 1-oxide
CID 176603661
2-(2-Methylprop-1-enoxymethyl)thiocane 1-oxide
CID 176603735
2-[3-(Cyclopentylidenemethoxy)propyl]thiolane 1-oxide
CID 176603827

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]thiocane 1-oxide?
The IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]thiocane 1-oxide (CID 176603359) is 2-[3-(cyclopentylidenemethoxy)propyl]thiocane 1-oxide.
What is the SMILES notation for 2-[3-(cyclopentylidenemethoxy)propyl]thiocane 1-oxide?
The canonical SMILES for 2-[3-(cyclopentylidenemethoxy)propyl]thiocane 1-oxide is O=S1CCCCCCC1CCCOC=C1CCCC1.
What is the InChIKey of 2-[3-(cyclopentylidenemethoxy)propyl]thiocane 1-oxide?
The InChIKey is WWNFKEXXZWNMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2S/c17-19-13-6-2-1-3-10-16(19)11-7-12-18-14-15-8-4-5-9-15/h14,16H,1-13H2.
What are the key properties of 2-[3-(cyclopentylidenemethoxy)propyl]thiocane 1-oxide?
2-[3-(cyclopentylidenemethoxy)propyl]thiocane 1-oxide has a molecular weight of 284.46 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylidenemethoxy)propyl]thiocane 1-oxide is sourced from PubChem (CID 176603359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).