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

C10H10N2O3S — CID 2778865

IUPACN-hydroxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NO
InChIInChI=1S/C10H10N2O3S/c13-9(12-15)5-8-10(14)11-6-3-1-2-4-7(6)16-8/h1-4,8,15H,5H2,(H,11,14)(H,12,13)
InChIKeyUKDWCJNGBPZOBU-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.99
Rot. Bonds2

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

N-hydroxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 2778865) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is N-hydroxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-hydroxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID2778865
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC NameN-hydroxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NO
InChIInChI=1S/C10H10N2O3S/c13-9(12-15)5-8-10(14)11-6-3-1-2-4-7(6)16-8/h1-4,8,15H,5H2,(H,11,14)(H,12,13)
InChIKeyUKDWCJNGBPZOBU-UHFFFAOYSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.99
H-Bond Donors ≤ 53
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-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-hydroxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 2778865) is N-hydroxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-hydroxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-hydroxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)NO.
What is the InChIKey of N-hydroxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is UKDWCJNGBPZOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c13-9(12-15)5-8-10(14)11-6-3-1-2-4-7(6)16-8/h1-4,8,15H,5H2,(H,11,14)(H,12,13).
What are the key properties of N-hydroxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-hydroxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 238.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 2778865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).