7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one

C11H14N2OS — CID 84615499

IUPAC7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one
SMILESCN1C(=O)C(C)(C)Sc2cc(N)ccc21
InChIInChI=1S/C11H14N2OS/c1-11(2)10(14)13(3)8-5-4-7(12)6-9(8)15-11/h4-6H,12H2,1-3H3
InChIKeyIGFIYEKZEMZMOP-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.12
Rot. Bonds

About 7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one

7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one (PubChem CID 84615499) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one
PubChem CID84615499
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one
SMILESCN1C(=O)C(C)(C)Sc2cc(N)ccc21
InChIInChI=1S/C11H14N2OS/c1-11(2)10(14)13(3)8-5-4-7(12)6-9(8)15-11/h4-6H,12H2,1-3H3
InChIKeyIGFIYEKZEMZMOP-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-bromo-2,2,4-trimethyl-1,4-benzothiazin-3-one
CID 84615700
2,2,4-trimethyl-3-oxo-1,4-benzothiazine-7-carbaldehyde
CID 84616060
7-amino-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzothiazin-3-one
CID 84615507
7-amino-2,2-dimethyl-4-(2-methylpropyl)-1,4-benzothiazin-3-one
CID 84615500
7-amino-2,2-dimethyl-4-prop-2-ynyl-1,4-benzothiazin-3-one
CID 84615511
2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)propanoic acid
CID 84615491
2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-methylacetamide
CID 84615505
3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 84615485
2,2-dimethyl-3-oxo-4-propyl-1,4-benzothiazine-7-carbaldehyde
CID 84616055
5,6-diamino-1,3,3-trimethylindol-2-one
CID 23092656
6-amino-1-methyl-3,4-dihydroquinoxalin-2-one
CID 28693613
2,2-dimethyl-7-propanoyl-4-propyl-1,4-benzothiazin-3-one
CID 84615413

Frequently Asked Questions

What is the IUPAC name of 7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one?
The IUPAC name of 7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one (CID 84615499) is 7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one?
The canonical SMILES for 7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one is CN1C(=O)C(C)(C)Sc2cc(N)ccc21.
What is the InChIKey of 7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one?
The InChIKey is IGFIYEKZEMZMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-11(2)10(14)13(3)8-5-4-7(12)6-9(8)15-11/h4-6H,12H2,1-3H3.
What are the key properties of 7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one?
7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one has a molecular weight of 222.31 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 84615499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).