(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C11H12N2O3S — CID 27745078

IUPAC(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCONC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2
InChIInChI=1S/C11H12N2O3S/c1-6-10(14)12-8-5-7(11(15)13-16-2)3-4-9(8)17-6/h3-6H,1-2H3,(H,12,14)(H,13,15)/t6-/m0/s1
InChIKeyNMAUIGOAARQNBD-LURJTMIESA-N
MW252.29 g/mol
LogP1.41
Rot. Bonds2

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

(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 27745078) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is (2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID27745078
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCONC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2
InChIInChI=1S/C11H12N2O3S/c1-6-10(14)12-8-5-7(11(15)13-16-2)3-4-9(8)17-6/h3-6H,1-2H3,(H,12,14)(H,13,15)/t6-/m0/s1
InChIKeyNMAUIGOAARQNBD-LURJTMIESA-N
XLogP1.41
TPSA67.43 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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of (2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 27745078) is (2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for (2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for (2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CONC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2.
What is the InChIKey of (2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is NMAUIGOAARQNBD-LURJTMIESA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-6-10(14)12-8-5-7(11(15)13-16-2)3-4-9(8)17-6/h3-6H,1-2H3,(H,12,14)(H,13,15)/t6-/m0/s1.
What are the key properties of (2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 27745078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).