2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C14H18N2O2S — CID 42889102

IUPAC2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC(C)CNC(=O)c1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C14H18N2O2S/c1-8(2)7-15-14(18)10-4-5-12-11(6-10)16-13(17)9(3)19-12/h4-6,8-9H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyOJROIJRNHFZPPU-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.51
Rot. Bonds3

About 2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 42889102) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID42889102
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC(C)CNC(=O)c1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C14H18N2O2S/c1-8(2)7-15-14(18)10-4-5-12-11(6-10)16-13(17)9(3)19-12/h4-6,8-9H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyOJROIJRNHFZPPU-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27231270
(2R)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 94031945
N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51155062
N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 120508598
N-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51147666
(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27745078
N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 116847999
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 120946907
2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 146579222
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 75417289
2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 110764915
(2S,3S)-3-methyl-2-[(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]pentanoic acid
CID 119194206

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 42889102) is 2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CC(C)CNC(=O)c1ccc2c(c1)NC(=O)C(C)S2.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is OJROIJRNHFZPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-8(2)7-15-14(18)10-4-5-12-11(6-10)16-13(17)9(3)19-12/h4-6,8-9H,7H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 42889102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).