2-[2-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide

C13H22O3S — CID 176603576

IUPAC2-[2-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1CCOC=C1CCCC1
InChIInChI=1S/C13H22O3S/c14-17(15)10-4-3-7-13(17)8-9-16-11-12-5-1-2-6-12/h11,13H,1-10H2
InChIKeyHFGZIAUMYISVNV-UHFFFAOYSA-N
MW258.38 g/mol
LogP2.82
Rot. Bonds4

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

2-[2-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide (PubChem CID 176603576) has the molecular formula C13H22O3S and a molecular weight of 258.38 g/mol. Its IUPAC name is 2-[2-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
PubChem CID176603576
Molecular FormulaC13H22O3S
Molecular Weight258.38 g/mol
Exact Mass258.13
IUPAC Name2-[2-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1CCOC=C1CCCC1
InChIInChI=1S/C13H22O3S/c14-17(15)10-4-3-7-13(17)8-9-16-11-12-5-1-2-6-12/h11,13H,1-10H2
InChIKeyHFGZIAUMYISVNV-UHFFFAOYSA-N
XLogP2.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 52.82
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'}

Analyze 2-[2-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide 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
2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603009
3-[3-(Cyclopentylidenemethoxy)propyl]thiepane 1,1-dioxide
CID 176603080
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
CID 176603112
4-(Cyclopentylidenemethoxymethyl)thiane 1,1-dioxide
CID 176603172
3-[2-(Cyclopentylidenemethoxy)ethyl]thiepane 1,1-dioxide
CID 176603218
2-[2-(Cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603245
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiane 1-oxide
CID 176603284
3-[2-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603294
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide
CID 176603333
2-[3-(Cyclopentylidenemethoxy)propyl]thiocane 1-oxide
CID 176603359
2-[2-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603406

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide?
The IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide (CID 176603576) is 2-[2-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide.
What is the SMILES notation for 2-[2-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide?
The canonical SMILES for 2-[2-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide is O=S1(=O)CCCCC1CCOC=C1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide?
The InChIKey is HFGZIAUMYISVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3S/c14-17(15)10-4-3-7-13(17)8-9-16-11-12-5-1-2-6-12/h11,13H,1-10H2.
What are the key properties of 2-[2-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide?
2-[2-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide has a molecular weight of 258.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide is sourced from PubChem (CID 176603576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).