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

C10H16O3S — CID 176603256

IUPAC2-[1-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
SMILESCC(OC=C1CCCC1)C1CS1(=O)=O
InChIInChI=1S/C10H16O3S/c1-8(10-7-14(10,11)12)13-6-9-4-2-3-5-9/h6,8,10H,2-5,7H2,1H3
InChIKeyLEKJJNGBHSKWDD-UHFFFAOYSA-N
MW216.30 g/mol
LogP1.65
Rot. Bonds3

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

2-[1-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide (PubChem CID 176603256) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide.

Molecular Properties

Compound Name2-[1-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
PubChem CID176603256
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Name2-[1-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
SMILESCC(OC=C1CCCC1)C1CS1(=O)=O
InChIInChI=1S/C10H16O3S/c1-8(10-7-14(10,11)12)13-6-9-4-2-3-5-9/h6,8,10H,2-5,7H2,1H3
InChIKeyLEKJJNGBHSKWDD-UHFFFAOYSA-N
XLogP1.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide
CID 176602931
2-[2-(Cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603082
2-[3-(Cyclopentylidenemethoxy)propyl]thiirane 1-oxide
CID 176603130
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane
CID 176603355
2-(Cyclopentylidenemethoxymethyl)thiirane 1,1-dioxide
CID 176603368
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane 1,1-dioxide
CID 176603705
2-(Cyclopentylidenemethoxymethyl)thiirane 1-oxide
CID 176603763
2-[1-(Cyclohexylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603784
2-(Cyclopentylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide
CID 176603990
2-(Cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide
CID 176604250
2-[1-(2-Methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide
CID 176604293
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiirane 1,1-dioxide
CID 176604435

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide?
The IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide (CID 176603256) is 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide.
What is the SMILES notation for 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide?
The canonical SMILES for 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide is CC(OC=C1CCCC1)C1CS1(=O)=O.
What is the InChIKey of 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide?
The InChIKey is LEKJJNGBHSKWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3S/c1-8(10-7-14(10,11)12)13-6-9-4-2-3-5-9/h6,8,10H,2-5,7H2,1H3.
What are the key properties of 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide?
2-[1-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide has a molecular weight of 216.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide is sourced from PubChem (CID 176603256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).