3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide

C11H14O3S — CID 58521880

IUPAC3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide
SMILESCOC1c2ccccc2S(=O)(=O)C1(C)C
InChIInChI=1S/C11H14O3S/c1-11(2)10(14-3)8-6-4-5-7-9(8)15(11,12)13/h4-7,10H,1-3H3
InChIKeyJIQSKVWXNLMEGM-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.94
Rot. Bonds1

About 3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide

3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide (PubChem CID 58521880) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide
PubChem CID58521880
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide
SMILESCOC1c2ccccc2S(=O)(=O)C1(C)C
InChIInChI=1S/C11H14O3S/c1-11(2)10(14-3)8-6-4-5-7-9(8)15(11,12)13/h4-7,10H,1-3H3
InChIKeyJIQSKVWXNLMEGM-UHFFFAOYSA-N
XLogP1.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-2,2-dimethyl-3H-1-benzothiophene 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

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide?
The IUPAC name of 3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide (CID 58521880) is 3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide is COC1c2ccccc2S(=O)(=O)C1(C)C.
What is the InChIKey of 3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide?
The InChIKey is JIQSKVWXNLMEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-11(2)10(14-3)8-6-4-5-7-9(8)15(11,12)13/h4-7,10H,1-3H3.
What are the key properties of 3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide?
3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide has a molecular weight of 226.30 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 58521880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).