6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide

C10H13NO4S — CID 162419435

IUPAC6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide
SMILESCOc1cc2c(cc1OC)NS(=O)(=O)CC2
InChIInChI=1S/C10H13NO4S/c1-14-9-5-7-3-4-16(12,13)11-8(7)6-10(9)15-2/h5-6,11H,3-4H2,1-2H3
InChIKeyNWJVGHXPXXHWGK-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.00
Rot. Bonds2

About 6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide

6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide (PubChem CID 162419435) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide.

Molecular Properties

Compound Name6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide
PubChem CID162419435
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide
SMILESCOc1cc2c(cc1OC)NS(=O)(=O)CC2
InChIInChI=1S/C10H13NO4S/c1-14-9-5-7-3-4-16(12,13)11-8(7)6-10(9)15-2/h5-6,11H,3-4H2,1-2H3
InChIKeyNWJVGHXPXXHWGK-UHFFFAOYSA-N
XLogP1.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-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 6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide?
The IUPAC name of 6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide (CID 162419435) is 6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide.
What is the SMILES notation for 6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide?
The canonical SMILES for 6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide is COc1cc2c(cc1OC)NS(=O)(=O)CC2.
What is the InChIKey of 6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide?
The InChIKey is NWJVGHXPXXHWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-14-9-5-7-3-4-16(12,13)11-8(7)6-10(9)15-2/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide?
6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide has a molecular weight of 243.28 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide is sourced from PubChem (CID 162419435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).