N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C13H16N2O2S — CID 134023523

IUPACN-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(C)C(=O)c1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C13H16N2O2S/c1-4-15(3)13(17)9-5-6-11-10(7-9)14-12(16)8(2)18-11/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyVNGCFBNUMVWDQP-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.21
Rot. Bonds2

About N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 134023523) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID134023523
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(C)C(=O)c1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C13H16N2O2S/c1-4-15(3)13(17)9-5-6-11-10(7-9)14-12(16)8(2)18-11/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyVNGCFBNUMVWDQP-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42886140
N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51156898
N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 24632500
N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 116847999
(2R)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51942205
N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 18117537
N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51155062
N,2-dimethyl-3-oxo-N-(1-phenylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 51188160
(2S)-N,2-dimethyl-3-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 135787529
2-methyl-6-(2-methylsulfanylacetyl)-4H-1,4-benzothiazin-3-one
CID 116830131
N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 134023514
2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42889102

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 134023523) is N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CCN(C)C(=O)c1ccc2c(c1)NC(=O)C(C)S2.
What is the InChIKey of N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is VNGCFBNUMVWDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-4-15(3)13(17)9-5-6-11-10(7-9)14-12(16)8(2)18-11/h5-8H,4H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 134023523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).