2-(methylamino)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetic acid

C12H14N2O3S — CID 82487029

IUPAC2-(methylamino)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetic acid
SMILESCNC(C(=O)O)c1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C12H14N2O3S/c1-6-11(15)14-8-5-7(3-4-9(8)18-6)10(13-2)12(16)17/h3-6,10,13H,1-2H3,(H,14,15)(H,16,17)
InChIKeyWFMGRRJMARHNFZ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.46
Rot. Bonds3

About 2-(methylamino)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetic acid

2-(methylamino)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetic acid (PubChem CID 82487029) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(methylamino)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(methylamino)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetic acid
PubChem CID82487029
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-(methylamino)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetic acid
SMILESCNC(C(=O)O)c1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C12H14N2O3S/c1-6-11(15)14-8-5-7(3-4-9(8)18-6)10(13-2)12(16)17/h3-6,10,13H,1-2H3,(H,14,15)(H,16,17)
InChIKeyWFMGRRJMARHNFZ-UHFFFAOYSA-N
XLogP1.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-amino-1-(methylamino)propyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 116948439
6-(1-amino-2-chloroethyl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 116937588
6-(1-amino-4-hydroxybutyl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 116861466
2-methyl-3-oxo-N-[1-(4-phenylphenyl)ethyl]-4H-1,4-benzothiazine-6-carboxamide
CID 112761412
1-methyl-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115169162
(3R)-3-(4-fluorophenyl)-3-[[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]propanoic acid
CID 125149794
N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42886140
(2S,3S)-3-methyl-2-[(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]pentanoic acid
CID 119194206
N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 116847999
(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27745078
2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42889102
N,2-dimethyl-3-oxo-N-(1-phenylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 51188160

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetic acid?
The IUPAC name of 2-(methylamino)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetic acid (CID 82487029) is 2-(methylamino)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetic acid.
What is the SMILES notation for 2-(methylamino)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetic acid?
The canonical SMILES for 2-(methylamino)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetic acid is CNC(C(=O)O)c1ccc2c(c1)NC(=O)C(C)S2.
What is the InChIKey of 2-(methylamino)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetic acid?
The InChIKey is WFMGRRJMARHNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-6-11(15)14-8-5-7(3-4-9(8)18-6)10(13-2)12(16)17/h3-6,10,13H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(methylamino)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetic acid?
2-(methylamino)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetic acid has a molecular weight of 266.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetic acid is sourced from PubChem (CID 82487029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).