6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide

C11H15NO3S2 — CID 14255704

IUPAC6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide
SMILESCOCc1ccc2c(c1S(N)(=O)=O)SC(C)C2
InChIInChI=1S/C11H15NO3S2/c1-7-5-8-3-4-9(6-15-2)11(10(8)16-7)17(12,13)14/h3-4,7H,5-6H2,1-2H3,(H2,12,13,14)
InChIKeyMZYYHBAXYDWWOC-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.52
Rot. Bonds3

About 6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide

6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide (PubChem CID 14255704) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide.

Molecular Properties

Compound Name6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide
PubChem CID14255704
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Name6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide
SMILESCOCc1ccc2c(c1S(N)(=O)=O)SC(C)C2
InChIInChI=1S/C11H15NO3S2/c1-7-5-8-3-4-9(6-15-2)11(10(8)16-7)17(12,13)14/h3-4,7H,5-6H2,1-2H3,(H2,12,13,14)
InChIKeyMZYYHBAXYDWWOC-UHFFFAOYSA-N
XLogP1.52
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide 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 6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide?
The IUPAC name of 6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide (CID 14255704) is 6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide.
What is the SMILES notation for 6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide?
The canonical SMILES for 6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide is COCc1ccc2c(c1S(N)(=O)=O)SC(C)C2.
What is the InChIKey of 6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide?
The InChIKey is MZYYHBAXYDWWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-7-5-8-3-4-9(6-15-2)11(10(8)16-7)17(12,13)14/h3-4,7H,5-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide?
6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide has a molecular weight of 273.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzothiophene-7-sulfonamide is sourced from PubChem (CID 14255704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).