6-methoxy-3-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide

C10H13NO3S — CID 102387368

IUPAC6-methoxy-3-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
SMILESCOc1ccc2c(c1)CC(C)NS2(=O)=O
InChIInChI=1S/C10H13NO3S/c1-7-5-8-6-9(14-2)3-4-10(8)15(12,13)11-7/h3-4,6-7,11H,5H2,1-2H3
InChIKeyFLRLXHITSXDMMT-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.92
Rot. Bonds1

About 6-methoxy-3-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide

6-methoxy-3-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide (PubChem CID 102387368) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 6-methoxy-3-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name6-methoxy-3-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
PubChem CID102387368
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name6-methoxy-3-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
SMILESCOc1ccc2c(c1)CC(C)NS2(=O)=O
InChIInChI=1S/C10H13NO3S/c1-7-5-8-6-9(14-2)3-4-10(8)15(12,13)11-7/h3-4,6-7,11H,5H2,1-2H3
InChIKeyFLRLXHITSXDMMT-UHFFFAOYSA-N
XLogP0.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The IUPAC name of 6-methoxy-3-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide (CID 102387368) is 6-methoxy-3-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide.
What is the SMILES notation for 6-methoxy-3-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The canonical SMILES for 6-methoxy-3-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide is COc1ccc2c(c1)CC(C)NS2(=O)=O.
What is the InChIKey of 6-methoxy-3-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The InChIKey is FLRLXHITSXDMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-7-5-8-6-9(14-2)3-4-10(8)15(12,13)11-7/h3-4,6-7,11H,5H2,1-2H3.
What are the key properties of 6-methoxy-3-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
6-methoxy-3-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide has a molecular weight of 227.28 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide is sourced from PubChem (CID 102387368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).