2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide

C11H20O3S — CID 176603587

IUPAC2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide
SMILESCC(C)=COCC1(C)CCCCS1(=O)=O
InChIInChI=1S/C11H20O3S/c1-10(2)8-14-9-11(3)6-4-5-7-15(11,12)13/h8H,4-7,9H2,1-3H3
InChIKeyDGAFZSXDZQEEQB-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.28
Rot. Bonds3

About 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide

2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide (PubChem CID 176603587) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide
PubChem CID176603587
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide
SMILESCC(C)=COCC1(C)CCCCS1(=O)=O
InChIInChI=1S/C11H20O3S/c1-10(2)8-14-9-11(3)6-4-5-7-15(11,12)13/h8H,4-7,9H2,1-3H3
InChIKeyDGAFZSXDZQEEQB-UHFFFAOYSA-N
XLogP2.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Methylprop-2-enylsulfonyl)oxane
CID 162418091
(S)-2-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran
CID 162786691
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1,1-dioxide
CID 176602909
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176602912
4-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176602955
2-Ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide
CID 176602988
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiane 1-oxide
CID 176602999
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603004
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]thiane 1-oxide
CID 176603005
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603043
3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603078

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide?
The IUPAC name of 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide (CID 176603587) is 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide.
What is the SMILES notation for 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide?
The canonical SMILES for 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide is CC(C)=COCC1(C)CCCCS1(=O)=O.
What is the InChIKey of 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide?
The InChIKey is DGAFZSXDZQEEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-10(2)8-14-9-11(3)6-4-5-7-15(11,12)13/h8H,4-7,9H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide?
2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide has a molecular weight of 232.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide is sourced from PubChem (CID 176603587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).