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

C13H16N2O2S — CID 20967217

IUPACN,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C13H16N2O2S/c1-3-15(4-2)13(17)9-5-6-11-10(7-9)14-12(16)8-18-11/h5-7H,3-4,8H2,1-2H3,(H,14,16)
InChIKeyPPMKKLRPHNDRKM-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.21
Rot. Bonds3

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

N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 20967217) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID20967217
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C13H16N2O2S/c1-3-15(4-2)13(17)9-5-6-11-10(7-9)14-12(16)8-18-11/h5-7H,3-4,8H2,1-2H3,(H,14,16)
InChIKeyPPMKKLRPHNDRKM-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 134023514
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 60537875
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2453325
4-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid
CID 43172408
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 56511302
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
N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17412810
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
6-benzoyl-4H-1,4-benzothiazin-3-one
CID 11958353
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 20967217) is N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is PPMKKLRPHNDRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-15(4-2)13(17)9-5-6-11-10(7-9)14-12(16)8-18-11/h5-7H,3-4,8H2,1-2H3,(H,14,16).
What are the key properties of N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 20967217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).