N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C12H14N2O2S — CID 134023514

IUPACN-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(C)C(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C12H14N2O2S/c1-3-14(2)12(16)8-4-5-10-9(6-8)13-11(15)7-17-10/h4-6H,3,7H2,1-2H3,(H,13,15)
InChIKeyINDVKBIJSVMAAY-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.82
Rot. Bonds2

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

N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 134023514) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID134023514
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(C)C(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C12H14N2O2S/c1-3-14(2)12(16)8-4-5-10-9(6-8)13-11(15)7-17-10/h4-6H,3,7H2,1-2H3,(H,13,15)
InChIKeyINDVKBIJSVMAAY-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 20967217
4-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid
CID 43172408
N-[(2-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7965448
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27822829
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2450741
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 39858086
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 60537875
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 26979430
1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539733
N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 134023523
6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one
CID 82494432
N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119504574

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 134023514) is N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CCN(C)C(=O)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is INDVKBIJSVMAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-14(2)12(16)8-4-5-10-9(6-8)13-11(15)7-17-10/h4-6H,3,7H2,1-2H3,(H,13,15).
What are the key properties of N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 134023514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).