N-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)acetamide

C11H12N2O3S — CID 11368756

IUPACN-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)acetamide
SMILESCN1C(=O)C(CC(=O)NO)Sc2ccccc21
InChIInChI=1S/C11H12N2O3S/c1-13-7-4-2-3-5-8(7)17-9(11(13)15)6-10(14)12-16/h2-5,9,16H,6H2,1H3,(H,12,14)
InChIKeyHTOKZQYVLHRUDM-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.02
Rot. Bonds2

About N-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)acetamide

N-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)acetamide (PubChem CID 11368756) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is N-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)acetamide
PubChem CID11368756
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC NameN-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)acetamide
SMILESCN1C(=O)C(CC(=O)NO)Sc2ccccc21
InChIInChI=1S/C11H12N2O3S/c1-13-7-4-2-3-5-8(7)17-9(11(13)15)6-10(14)12-16/h2-5,9,16H,6H2,1H3,(H,12,14)
InChIKeyHTOKZQYVLHRUDM-UHFFFAOYSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)acetamide (CID 11368756) is N-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)acetamide is CN1C(=O)C(CC(=O)NO)Sc2ccccc21.
What is the InChIKey of N-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is HTOKZQYVLHRUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-13-7-4-2-3-5-8(7)17-9(11(13)15)6-10(14)12-16/h2-5,9,16H,6H2,1H3,(H,12,14).
What are the key properties of N-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)acetamide?
N-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 252.29 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 11368756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).