5-methoxy-1-methyl-2λ6,1-benzothiazine 2,2-dioxide

C10H11NO3S — CID 58962342

IUPAC5-methoxy-1-methyl-2λ6,1-benzothiazine 2,2-dioxide
SMILESCOc1cccc2c1C=CS(=O)(=O)N2C
InChIInChI=1S/C10H11NO3S/c1-11-9-4-3-5-10(14-2)8(9)6-7-15(11,12)13/h3-7H,1-2H3
InChIKeyABNYQUVLGFXNOW-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.45
Rot. Bonds1

About 5-methoxy-1-methyl-2λ6,1-benzothiazine 2,2-dioxide

5-methoxy-1-methyl-2λ6,1-benzothiazine 2,2-dioxide (PubChem CID 58962342) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-methoxy-1-methyl-2λ6,1-benzothiazine 2,2-dioxide.

Molecular Properties

Compound Name5-methoxy-1-methyl-2λ6,1-benzothiazine 2,2-dioxide
PubChem CID58962342
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name5-methoxy-1-methyl-2λ6,1-benzothiazine 2,2-dioxide
SMILESCOc1cccc2c1C=CS(=O)(=O)N2C
InChIInChI=1S/C10H11NO3S/c1-11-9-4-3-5-10(14-2)8(9)6-7-15(11,12)13/h3-7H,1-2H3
InChIKeyABNYQUVLGFXNOW-UHFFFAOYSA-N
XLogP1.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-1-methyl-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

Related Compounds

3,8-dimethoxypyridazino[1,2-a]cinnoline
CID 22133731
4-methoxy-1-methyl-3H-indol-2-one
CID 12713031
(2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene
CID 134866217
6,10,19-trimethoxy-1-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaen-8-ol
CID 101227702
1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene
CID 177411564
10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline
CID 122369508
1-(2,6-dimethoxyphenyl)sulfonyl-2,3-dihydro-1-benzazepine
CID 122143404
2-(4-methoxy-1-methyl-3H-indazol-2-yl)ethanamine
CID 70953522
4-methoxy-10-methyl-5H-phenazine
CID 18427227
1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanol
CID 117120225
4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 17233930
azane;1,2-dimethoxybenzene
CID 174437926

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-2λ6,1-benzothiazine 2,2-dioxide?
The IUPAC name of 5-methoxy-1-methyl-2λ6,1-benzothiazine 2,2-dioxide (CID 58962342) is 5-methoxy-1-methyl-2λ6,1-benzothiazine 2,2-dioxide.
What is the SMILES notation for 5-methoxy-1-methyl-2λ6,1-benzothiazine 2,2-dioxide?
The canonical SMILES for 5-methoxy-1-methyl-2λ6,1-benzothiazine 2,2-dioxide is COc1cccc2c1C=CS(=O)(=O)N2C.
What is the InChIKey of 5-methoxy-1-methyl-2λ6,1-benzothiazine 2,2-dioxide?
The InChIKey is ABNYQUVLGFXNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-11-9-4-3-5-10(14-2)8(9)6-7-15(11,12)13/h3-7H,1-2H3.
What are the key properties of 5-methoxy-1-methyl-2λ6,1-benzothiazine 2,2-dioxide?
5-methoxy-1-methyl-2λ6,1-benzothiazine 2,2-dioxide has a molecular weight of 225.27 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-2λ6,1-benzothiazine 2,2-dioxide is sourced from PubChem (CID 58962342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).