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

C10H16O3S — CID 176603082

IUPAC2-[2-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
SMILESO=S1(=O)CC1CCOC=C1CCCC1
InChIInChI=1S/C10H16O3S/c11-14(12)8-10(14)5-6-13-7-9-3-1-2-4-9/h7,10H,1-6,8H2
InChIKeyJZRDPRIKZNRRLV-UHFFFAOYSA-N
MW216.30 g/mol
LogP1.65
Rot. Bonds4

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

2-[2-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide (PubChem CID 176603082) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is 2-[2-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
PubChem CID176603082
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Name2-[2-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
SMILESO=S1(=O)CC1CCOC=C1CCCC1
InChIInChI=1S/C10H16O3S/c11-14(12)8-10(14)5-6-13-7-9-3-1-2-4-9/h7,10H,1-6,8H2
InChIKeyJZRDPRIKZNRRLV-UHFFFAOYSA-N
XLogP1.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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': 'Aliphatic_long_chain', '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
3-(Cyclopentylidenemethoxymethyl)thietane 1,1-dioxide
CID 176603060
2-[3-(Cyclopentylidenemethoxy)propyl]thiirane 1-oxide
CID 176603130
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiirane 1,1-dioxide
CID 176603183
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603256
2-(Cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide
CID 176603265
2-(Cyclopentylidenemethoxymethyl)thiirane 1,1-dioxide
CID 176603368
2-[3-(Cyclohexylidenemethoxy)propyl]thiirane 1,1-dioxide
CID 176603496
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane 1,1-dioxide
CID 176603705
2-(Cyclopentylidenemethoxymethyl)thiirane 1-oxide
CID 176603763
2-(Cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide
CID 176603965
2-(Cyclopentylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide
CID 176603990

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide?
The IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide (CID 176603082) is 2-[2-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide.
What is the SMILES notation for 2-[2-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide?
The canonical SMILES for 2-[2-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide is O=S1(=O)CC1CCOC=C1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide?
The InChIKey is JZRDPRIKZNRRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3S/c11-14(12)8-10(14)5-6-13-7-9-3-1-2-4-9/h7,10H,1-6,8H2.
What are the key properties of 2-[2-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide?
2-[2-(cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide has a molecular weight of 216.30 g/mol, XLogP of 1.65, 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]thiirane 1,1-dioxide is sourced from PubChem (CID 176603082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).