3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide

C12H15N3O3S — CID 106111669

IUPAC3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
SMILESCOC(CN)C(=O)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C12H15N3O3S/c1-18-9(5-13)12(17)14-7-2-3-10-8(4-7)15-11(16)6-19-10/h2-4,9H,5-6,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyUBQDSLNVBZYEBQ-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.64
Rot. Bonds4

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

3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide (PubChem CID 106111669) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
PubChem CID106111669
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
SMILESCOC(CN)C(=O)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C12H15N3O3S/c1-18-9(5-13)12(17)14-7-2-3-10-8(4-7)15-11(16)6-19-10/h2-4,9H,5-6,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyUBQDSLNVBZYEBQ-UHFFFAOYSA-N
XLogP0.64
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide
CID 43699749
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 103388562
3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 35875429
3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide
CID 114144862
3-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 43699746
1-(2,2-dimethylpropyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)urea
CID 110774699
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide
CID 62837216
2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 55122169
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide (CID 106111669) is 3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide is COC(CN)C(=O)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The InChIKey is UBQDSLNVBZYEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-18-9(5-13)12(17)14-7-2-3-10-8(4-7)15-11(16)6-19-10/h2-4,9H,5-6,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide has a molecular weight of 281.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide is sourced from PubChem (CID 106111669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).