2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]propanamide

C13H15N3O4S — CID 11162652

IUPAC2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]propanamide
SMILESCC(C(N)=O)N1C(=O)C(CC(=O)NO)Sc2ccccc21
InChIInChI=1S/C13H15N3O4S/c1-7(12(14)18)16-8-4-2-3-5-9(8)21-10(13(16)19)6-11(17)15-20/h2-5,7,10,20H,6H2,1H3,(H2,14,18)(H,15,17)
InChIKeyYXBYJUJBZWKXTN-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.26
Rot. Bonds4

About 2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]propanamide

2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]propanamide (PubChem CID 11162652) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]propanamide.

Molecular Properties

Compound Name2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]propanamide
PubChem CID11162652
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]propanamide
SMILESCC(C(N)=O)N1C(=O)C(CC(=O)NO)Sc2ccccc21
InChIInChI=1S/C13H15N3O4S/c1-7(12(14)18)16-8-4-2-3-5-9(8)21-10(13(16)19)6-11(17)15-20/h2-5,7,10,20H,6H2,1H3,(H2,14,18)(H,15,17)
InChIKeyYXBYJUJBZWKXTN-UHFFFAOYSA-N
XLogP0.26
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]propanamide?
The IUPAC name of 2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]propanamide (CID 11162652) is 2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]propanamide.
What is the SMILES notation for 2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]propanamide?
The canonical SMILES for 2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]propanamide is CC(C(N)=O)N1C(=O)C(CC(=O)NO)Sc2ccccc21.
What is the InChIKey of 2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]propanamide?
The InChIKey is YXBYJUJBZWKXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-7(12(14)18)16-8-4-2-3-5-9(8)21-10(13(16)19)6-11(17)15-20/h2-5,7,10,20H,6H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of 2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]propanamide?
2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]propanamide has a molecular weight of 309.35 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]propanamide is sourced from PubChem (CID 11162652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).