N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide

C14H16N2O2S — CID 56686333

IUPACN-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCN1C(=O)C(C)(C(=O)NC2CC2)Sc2ccccc21
InChIInChI=1S/C14H16N2O2S/c1-14(12(17)15-9-7-8-9)13(18)16(2)10-5-3-4-6-11(10)19-14/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyXAFUZAOTSDTAIR-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.79
Rot. Bonds2

About N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide

N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide (PubChem CID 56686333) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
PubChem CID56686333
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCN1C(=O)C(C)(C(=O)NC2CC2)Sc2ccccc21
InChIInChI=1S/C14H16N2O2S/c1-14(12(17)15-9-7-8-9)13(18)16(2)10-5-3-4-6-11(10)19-14/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyXAFUZAOTSDTAIR-UHFFFAOYSA-N
XLogP1.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767846
N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56686331
N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767813
2,4-dimethyl-3-oxo-N-pyridin-4-yl-1,4-benzothiazine-2-carboxamide
CID 75769735
2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75770012
2-(azepane-1-carbonyl)-2,4-dimethyl-1,4-benzothiazin-3-one
CID 56686351
2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide
CID 75767849
N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767802
N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide
CID 75769260
2,4-dimethyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1,4-benzothiazine-2-carboxamide
CID 75767911
ethyl 1-(2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carbonyl)piperidine-4-carboxylate
CID 75767836
2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767805

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide (CID 56686333) is N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide is CN1C(=O)C(C)(C(=O)NC2CC2)Sc2ccccc21.
What is the InChIKey of N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The InChIKey is XAFUZAOTSDTAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-14(12(17)15-9-7-8-9)13(18)16(2)10-5-3-4-6-11(10)19-14/h3-6,9H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 56686333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).