2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide

C13H17N3O2S — CID 55122169

IUPAC2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C13H17N3O2S/c1-13(2,14-3)12(18)15-8-4-5-10-9(6-8)16-11(17)7-19-10/h4-6,14H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyBLGXPPBCXRJBTM-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.67
Rot. Bonds3

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

2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide (PubChem CID 55122169) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
PubChem CID55122169
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C13H17N3O2S/c1-13(2,14-3)12(18)15-8-4-5-10-9(6-8)16-11(17)7-19-10/h4-6,14H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyBLGXPPBCXRJBTM-UHFFFAOYSA-N
XLogP1.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 60867171
1-(2,2-dimethylpropyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)urea
CID 110774699
6-[(3-hydroxy-2,2-dimethylpropyl)amino]-4H-1,4-benzothiazin-3-one
CID 81411832
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
6-(ethylamino)-4H-1,4-benzothiazin-3-one
CID 43229079
2-bromo-3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide
CID 43699749
2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide
CID 103763504
3-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 43699746
6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one
CID 115132465

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The IUPAC name of 2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide (CID 55122169) is 2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide is CNC(C)(C)C(=O)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The InChIKey is BLGXPPBCXRJBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-13(2,14-3)12(18)15-8-4-5-10-9(6-8)16-11(17)7-19-10/h4-6,14H,7H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide has a molecular weight of 279.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide is sourced from PubChem (CID 55122169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).