2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide

C9H11NOS — CID 75525900

IUPAC2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide
SMILESCC1CNc2ccccc2S1=O
InChIInChI=1S/C9H11NOS/c1-7-6-10-8-4-2-3-5-9(8)12(7)11/h2-5,7,10H,6H2,1H3
InChIKeyZPGQIOYXLFWFQV-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.61
Rot. Bonds

About 2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide

2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide (PubChem CID 75525900) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide
PubChem CID75525900
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide
SMILESCC1CNc2ccccc2S1=O
InChIInChI=1S/C9H11NOS/c1-7-6-10-8-4-2-3-5-9(8)12(7)11/h2-5,7,10H,6H2,1H3
InChIKeyZPGQIOYXLFWFQV-UHFFFAOYSA-N
XLogP1.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide?
The IUPAC name of 2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide (CID 75525900) is 2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide.
What is the SMILES notation for 2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide?
The canonical SMILES for 2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide is CC1CNc2ccccc2S1=O.
What is the InChIKey of 2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide?
The InChIKey is ZPGQIOYXLFWFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-7-6-10-8-4-2-3-5-9(8)12(7)11/h2-5,7,10H,6H2,1H3.
What are the key properties of 2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide?
2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide has a molecular weight of 181.26 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide is sourced from PubChem (CID 75525900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).