2-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide

C14H24O3S — CID 176603916

IUPAC2-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1CCCOC=C1CCCC1
InChIInChI=1S/C14H24O3S/c15-18(16)11-4-3-8-14(18)9-5-10-17-12-13-6-1-2-7-13/h12,14H,1-11H2
InChIKeyNKLBQKAWZRDXDG-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.21
Rot. Bonds5

About 2-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide

2-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide (PubChem CID 176603916) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name2-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
PubChem CID176603916
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Name2-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1CCCOC=C1CCCC1
InChIInChI=1S/C14H24O3S/c15-18(16)11-4-3-8-14(18)9-5-10-17-12-13-6-1-2-7-13/h12,14H,1-11H2
InChIKeyNKLBQKAWZRDXDG-UHFFFAOYSA-N
XLogP3.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.21
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

2-(Cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide
CID 176602952
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602962
3-[3-(Cyclopentylidenemethoxy)propyl]thiepane 1,1-dioxide
CID 176603080
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
CID 176603112
3-[2-(Cyclopentylidenemethoxy)ethyl]thiepane 1,1-dioxide
CID 176603218
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-(Cyclohexylidenemethoxymethyl)thiocane 1-oxide
CID 176603347
2-[3-(Cyclopentylidenemethoxy)propyl]thiocane 1-oxide
CID 176603359
2-[2-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603442
2-[2-(Cyclopentylidenemethoxy)ethyl]thiane 1-oxide
CID 176603483

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide?
The IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide (CID 176603916) is 2-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide.
What is the SMILES notation for 2-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide?
The canonical SMILES for 2-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide is O=S1(=O)CCCCC1CCCOC=C1CCCC1.
What is the InChIKey of 2-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide?
The InChIKey is NKLBQKAWZRDXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S/c15-18(16)11-4-3-8-14(18)9-5-10-17-12-13-6-1-2-7-13/h12,14H,1-11H2.
What are the key properties of 2-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide?
2-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide has a molecular weight of 272.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide is sourced from PubChem (CID 176603916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).