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

C12H14N2O2S — CID 42886140

IUPACN,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC1Sc2ccc(C(=O)N(C)C)cc2NC1=O
InChIInChI=1S/C12H14N2O2S/c1-7-11(15)13-9-6-8(12(16)14(2)3)4-5-10(9)17-7/h4-7H,1-3H3,(H,13,15)
InChIKeyANEGVQYEXIKKLW-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.82
Rot. Bonds1

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

N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 42886140) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID42886140
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC1Sc2ccc(C(=O)N(C)C)cc2NC1=O
InChIInChI=1S/C12H14N2O2S/c1-7-11(15)13-9-6-8(12(16)14(2)3)4-5-10(9)17-7/h4-7H,1-3H3,(H,13,15)
InChIKeyANEGVQYEXIKKLW-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

Analyze N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 134023523
N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 116847999
N,2-dimethyl-3-oxo-N-(1-phenylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 51188160
N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 24632500
(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27745078
2-methyl-6-(2-methylsulfanylacetyl)-4H-1,4-benzothiazin-3-one
CID 116830131
2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42889102
N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51156898
N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51155062
(2R)-6-(azepane-1-carbonyl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 7779318
(2R)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 94031945
(2R)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51942205

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 42886140) is N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CC1Sc2ccc(C(=O)N(C)C)cc2NC1=O.
What is the InChIKey of N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is ANEGVQYEXIKKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-7-11(15)13-9-6-8(12(16)14(2)3)4-5-10(9)17-7/h4-7H,1-3H3,(H,13,15).
What are the key properties of N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 42886140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).