N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C11H12N2O3S — CID 17412810

IUPACN-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCONC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C11H12N2O3S/c1-2-16-13-11(15)7-3-4-9-8(5-7)12-10(14)6-17-9/h3-5H,2,6H2,1H3,(H,12,14)(H,13,15)
InChIKeyKPPRMKILEHMRLE-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.41
Rot. Bonds3

About N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 17412810) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID17412810
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC NameN-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCONC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C11H12N2O3S/c1-2-16-13-11(15)7-3-4-9-8(5-7)12-10(14)6-17-9/h3-5H,2,6H2,1H3,(H,12,14)(H,13,15)
InChIKeyKPPRMKILEHMRLE-UHFFFAOYSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736
N-[3-(aminomethyl)pentan-3-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119568654
N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119504574
N-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4877312
N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55753946
6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one
CID 82494432
N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 20967217
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712276
N-(3-amino-2-hydroxy-3-oxopropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 107260991
(4-ethoxyphenyl) 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 26686340
2-methoxy-3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propanoic acid
CID 106107780

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 17412810) is N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CCONC(=O)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is KPPRMKILEHMRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-2-16-13-11(15)7-3-4-9-8(5-7)12-10(14)6-17-9/h3-5H,2,6H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 17412810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).