3-(ethenoxymethyl)thietane 1,1-dioxide

C6H10O3S — CID 176604016

IUPAC3-(ethenoxymethyl)thietane 1,1-dioxide
SMILESC=COCC1CS(=O)(=O)C1
InChIInChI=1S/C6H10O3S/c1-2-9-3-6-4-10(7,8)5-6/h2,6H,1,3-5H2
InChIKeyDMGUKDPEOZIIMA-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.19
Rot. Bonds3

About 3-(ethenoxymethyl)thietane 1,1-dioxide

3-(ethenoxymethyl)thietane 1,1-dioxide (PubChem CID 176604016) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 3-(ethenoxymethyl)thietane 1,1-dioxide.

Molecular Properties

Compound Name3-(ethenoxymethyl)thietane 1,1-dioxide
PubChem CID176604016
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name3-(ethenoxymethyl)thietane 1,1-dioxide
SMILESC=COCC1CS(=O)(=O)C1
InChIInChI=1S/C6H10O3S/c1-2-9-3-6-4-10(7,8)5-6/h2,6H,1,3-5H2
InChIKeyDMGUKDPEOZIIMA-UHFFFAOYSA-N
XLogP0.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Ethenoxy-3-methylsulfonylpropane
CID 118629986
3-(Methoxymethyl)thietane 1,1-dioxide
CID 155624920
3-(1-Ethenoxyethyl)thietane 1-oxide
CID 176603002
3-(2-Ethenoxyethyl)thietane 1-oxide
CID 176603193
3-(3-Ethenoxypropyl)thietane 1,1-dioxide
CID 176603882
3-(1-Ethenoxyethyl)thietane 1,1-dioxide
CID 176603908
3-(Ethenoxymethyl)thietane 1-oxide
CID 176604004
3-[[(E)-prop-1-enoxy]methyl]thietane 1,1-dioxide
CID 176604678
3-(Ethenoxymethyl)-3-methylthietane 1,1-dioxide
CID 176604908
3-(2-Ethenoxyethyl)thietane 1,1-dioxide
CID 176605093
3-(Ethenoxymethyl)-3-methylthietane 1-oxide
CID 176605300
3-(Methylsulfonylmethyl)oxetane
CID 117032062

Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)thietane 1,1-dioxide?
The IUPAC name of 3-(ethenoxymethyl)thietane 1,1-dioxide (CID 176604016) is 3-(ethenoxymethyl)thietane 1,1-dioxide.
What is the SMILES notation for 3-(ethenoxymethyl)thietane 1,1-dioxide?
The canonical SMILES for 3-(ethenoxymethyl)thietane 1,1-dioxide is C=COCC1CS(=O)(=O)C1.
What is the InChIKey of 3-(ethenoxymethyl)thietane 1,1-dioxide?
The InChIKey is DMGUKDPEOZIIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-2-9-3-6-4-10(7,8)5-6/h2,6H,1,3-5H2.
What are the key properties of 3-(ethenoxymethyl)thietane 1,1-dioxide?
3-(ethenoxymethyl)thietane 1,1-dioxide has a molecular weight of 162.21 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)thietane 1,1-dioxide is sourced from PubChem (CID 176604016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).