(2R)-N-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C10H10N2O3S — CID 25374595

IUPAC(2R)-N-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@H]1Sc2ccc(C(=O)NO)cc2NC1=O
InChIInChI=1S/C10H10N2O3S/c1-5-9(13)11-7-4-6(10(14)12-15)2-3-8(7)16-5/h2-5,15H,1H3,(H,11,13)(H,12,14)/t5-/m1/s1
InChIKeyGIAXUWZVCYGXKO-RXMQYKEDSA-N
MW238.27 g/mol
LogP1.24
Rot. Bonds1

About (2R)-N-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

(2R)-N-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 25374595) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID25374595
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name(2R)-N-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@H]1Sc2ccc(C(=O)NO)cc2NC1=O
InChIInChI=1S/C10H10N2O3S/c1-5-9(13)11-7-4-6(10(14)12-15)2-3-8(7)16-5/h2-5,15H,1H3,(H,11,13)(H,12,14)/t5-/m1/s1
InChIKeyGIAXUWZVCYGXKO-RXMQYKEDSA-N
XLogP1.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.24
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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Related Compounds

2-Acetylphenothiazine
CID 81131
2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
CID 3507590
N-[2-(methylsulfanyl)phenyl]benzamide
CID 307228
N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2460170
N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 5082266
10H-Phenothiazine-2-carboxaldehyde
CID 12275364
6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
CID 677722
N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
CID 977219
4-[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 2533210
4-[2-(3,4-Dimethylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 2573087
4-[2-(4-Methylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 2573090
Ethyl 4-[(4-methyl-2,3-dihydro-1,4-benzothiazine-6-carbonyl)amino]piperidine-1-carboxylate
CID 3236020

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 25374595) is (2R)-N-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is C[C@H]1Sc2ccc(C(=O)NO)cc2NC1=O.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is GIAXUWZVCYGXKO-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-5-9(13)11-7-4-6(10(14)12-15)2-3-8(7)16-5/h2-5,15H,1H3,(H,11,13)(H,12,14)/t5-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
(2R)-N-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 238.27 g/mol, XLogP of 1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 25374595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).