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

C12H15N3O2S — CID 115152395

IUPAC2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
SMILESCC(N)C(=O)NCc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C12H15N3O2S/c1-7(13)12(17)14-5-8-2-3-10-9(4-8)15-11(16)6-18-10/h2-4,7H,5-6,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyRDLKHXAARXQGDX-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.69
Rot. Bonds3

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

2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide (PubChem CID 115152395) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
PubChem CID115152395
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
SMILESCC(N)C(=O)NCc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C12H15N3O2S/c1-7(13)12(17)14-5-8-2-3-10-9(4-8)15-11(16)6-18-10/h2-4,7H,5-6,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyRDLKHXAARXQGDX-UHFFFAOYSA-N
XLogP0.69
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115192676
methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784769
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 110784725
6-[(2-aminopropylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 115196564
6-[(propan-2-ylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 82476497
2-(2-fluorophenyl)-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]acetamide
CID 110784785
2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide
CID 115259923
benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784771
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide
CID 110784738
N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771492
6-[(2-aminoethylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 115195329
3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide
CID 110784744

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide (CID 115152395) is 2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide is CC(N)C(=O)NCc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide?
The InChIKey is RDLKHXAARXQGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-7(13)12(17)14-5-8-2-3-10-9(4-8)15-11(16)6-18-10/h2-4,7H,5-6,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide?
2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide has a molecular weight of 265.34 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide is sourced from PubChem (CID 115152395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).