2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one

C11H14N2OS — CID 84624163

IUPAC2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one
SMILESCc1cc2c(cc1C)SC(CN)C(=O)N2
InChIInChI=1S/C11H14N2OS/c1-6-3-8-9(4-7(6)2)15-10(5-12)11(14)13-8/h3-4,10H,5,12H2,1-2H3,(H,13,14)
InChIKeyVQMFTUAKDZXVGF-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.67
Rot. Bonds1

About 2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one

2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one (PubChem CID 84624163) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one
PubChem CID84624163
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one
SMILESCc1cc2c(cc1C)SC(CN)C(=O)N2
InChIInChI=1S/C11H14N2OS/c1-6-3-8-9(4-7(6)2)15-10(5-12)11(14)13-8/h3-4,10H,5,12H2,1-2H3,(H,13,14)
InChIKeyVQMFTUAKDZXVGF-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6,7-trimethyl-4H-1,4-benzothiazin-3-one
CID 84620961
2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84635233
(2R,3R)-3-hydroxy-7,8-dimethyl-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 10519273
2-(aminomethyl)-5-tert-butyl-4H-1,4-benzothiazin-3-one
CID 84633866
2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one
CID 84623973
2-(aminomethyl)-5-fluoro-4H-1,4-benzothiazin-3-one
CID 84621659
ethyl 2-(7-methyl-3-oxo-4H-1,4-benzothiazin-2-yl)acetate
CID 10333090
3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one
CID 57408916
6-acetyl-2-ethyl-4H-1,4-benzothiazin-3-one
CID 84614787
2-ethyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl chloride
CID 166899697
2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 23905261
N-(3,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700800

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one (CID 84624163) is 2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one is Cc1cc2c(cc1C)SC(CN)C(=O)N2.
What is the InChIKey of 2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one?
The InChIKey is VQMFTUAKDZXVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-6-3-8-9(4-7(6)2)15-10(5-12)11(14)13-8/h3-4,10H,5,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one?
2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one has a molecular weight of 222.31 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 84624163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).