3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide

C8H14O3S — CID 176603920

IUPAC3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide
SMILESCC(C)=COCC1CS(=O)(=O)C1
InChIInChI=1S/C8H14O3S/c1-7(2)3-11-4-8-5-12(9,10)6-8/h3,8H,4-6H2,1-2H3
InChIKeyMQWDEIKZXIDHFG-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.97
Rot. Bonds3

About 3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide

3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide (PubChem CID 176603920) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide
PubChem CID176603920
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide
SMILESCC(C)=COCC1CS(=O)(=O)C1
InChIInChI=1S/C8H14O3S/c1-7(2)3-11-4-8-5-12(9,10)6-8/h3,8H,4-6H2,1-2H3
InChIKeyMQWDEIKZXIDHFG-UHFFFAOYSA-N
XLogP0.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.97
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

3-[3-(2-Methylprop-1-enoxy)propyl]thietane 1,1-dioxide
CID 176602924
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane 1,1-dioxide
CID 176603093
2-[2-(2-Methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide
CID 176603229
3-Methyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide
CID 176603392
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiirane 1,1-dioxide
CID 176603568
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thietane 1,1-dioxide
CID 176603577
3-[1-[(E)-prop-1-enoxy]ethyl]thietane 1,1-dioxide
CID 176603846
3-[2-(2-Methylprop-1-enoxy)ethyl]thietane 1,1-dioxide
CID 176603847
3-[1-(2-Methylprop-1-enoxy)ethyl]thietane 1-oxide
CID 176604057
3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1,1-dioxide
CID 176604202
3-Ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide
CID 176604295
3-[2-(2-Methylprop-1-enoxy)ethyl]thietane 1-oxide
CID 176604467

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide?
The IUPAC name of 3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide (CID 176603920) is 3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide.
What is the SMILES notation for 3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide?
The canonical SMILES for 3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide is CC(C)=COCC1CS(=O)(=O)C1.
What is the InChIKey of 3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide?
The InChIKey is MQWDEIKZXIDHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-7(2)3-11-4-8-5-12(9,10)6-8/h3,8H,4-6H2,1-2H3.
What are the key properties of 3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide?
3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide has a molecular weight of 190.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide is sourced from PubChem (CID 176603920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).