2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one

C12H15NOS — CID 84623973

IUPAC2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one
SMILESCc1cc2c(cc1C)SC(C)(C)C(=O)N2
InChIInChI=1S/C12H15NOS/c1-7-5-9-10(6-8(7)2)15-12(3,4)11(14)13-9/h5-6H,1-4H3,(H,13,14)
InChIKeyFQTBTIXAJNERTI-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.13
Rot. Bonds

About 2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one

2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one (PubChem CID 84623973) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one
PubChem CID84623973
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one
SMILESCc1cc2c(cc1C)SC(C)(C)C(=O)N2
InChIInChI=1S/C12H15NOS/c1-7-5-9-10(6-8(7)2)15-12(3,4)11(14)13-9/h5-6H,1-4H3,(H,13,14)
InChIKeyFQTBTIXAJNERTI-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 13293492
ethyl 2,2-dimethyl-3-oxo-4H-1,4-benzothiazine-7-carboxylate
CID 116994645
2,6,7-trimethyl-4H-1,4-benzothiazin-3-one
CID 84620961
2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one
CID 84624163
3-(2,2-dimethyl-3-oxo-4H-1,4-benzothiazin-7-yl)propanoic acid
CID 116994620
7-[1-(aminomethyl)cyclopropyl]-2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 116994640
7-(2-amino-1-hydroxyethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 116994637
2-(2,2-dimethyl-3-oxo-4H-1,4-benzothiazin-7-yl)butanenitrile
CID 116994643
2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid
CID 82376797
3,3,7,8-tetramethyl-2,5-dihydro-1,5-benzoxazepin-4-one
CID 82230897
3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 15633560
8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 115096446

Frequently Asked Questions

What is the IUPAC name of 2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one (CID 84623973) is 2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one is Cc1cc2c(cc1C)SC(C)(C)C(=O)N2.
What is the InChIKey of 2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one?
The InChIKey is FQTBTIXAJNERTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-7-5-9-10(6-8(7)2)15-12(3,4)11(14)13-9/h5-6H,1-4H3,(H,13,14).
What are the key properties of 2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one?
2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one has a molecular weight of 221.32 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 84623973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).