3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide

C14H19N3O2S — CID 84615485

IUPAC3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESCCC1(C)Sc2cc(N)ccc2N(CCC(N)=O)C1=O
InChIInChI=1S/C14H19N3O2S/c1-3-14(2)13(19)17(7-6-12(16)18)10-5-4-9(15)8-11(10)20-14/h4-5,8H,3,6-7,15H2,1-2H3,(H2,16,18)
InChIKeyAQFMXKAYQMABQO-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.75
Rot. Bonds4

About 3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide

3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide (PubChem CID 84615485) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide.

Molecular Properties

Compound Name3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide
PubChem CID84615485
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESCCC1(C)Sc2cc(N)ccc2N(CCC(N)=O)C1=O
InChIInChI=1S/C14H19N3O2S/c1-3-14(2)13(19)17(7-6-12(16)18)10-5-4-9(15)8-11(10)20-14/h4-5,8H,3,6-7,15H2,1-2H3,(H2,16,18)
InChIKeyAQFMXKAYQMABQO-UHFFFAOYSA-N
XLogP1.75
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide?
The IUPAC name of 3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide (CID 84615485) is 3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide.
What is the SMILES notation for 3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide?
The canonical SMILES for 3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide is CCC1(C)Sc2cc(N)ccc2N(CCC(N)=O)C1=O.
What is the InChIKey of 3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide?
The InChIKey is AQFMXKAYQMABQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-14(2)13(19)17(7-6-12(16)18)10-5-4-9(15)8-11(10)20-14/h4-5,8H,3,6-7,15H2,1-2H3,(H2,16,18).
What are the key properties of 3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide?
3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide has a molecular weight of 293.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-2-ethyl-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanamide is sourced from PubChem (CID 84615485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).