5-(2,2-dimethyl-3H-1,4-benzothiazine-4-carbonyl)-1-methylpyridin-2-one

C17H18N2O2S — CID 71856348

IUPAC5-(2,2-dimethyl-3H-1,4-benzothiazine-4-carbonyl)-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CC(C)(C)Sc3ccccc32)ccc1=O
InChIInChI=1S/C17H18N2O2S/c1-17(2)11-19(13-6-4-5-7-14(13)22-17)16(21)12-8-9-15(20)18(3)10-12/h4-10H,11H2,1-3H3
InChIKeyJTWBRVVOWUXVDX-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.92
Rot. Bonds1

About 5-(2,2-dimethyl-3H-1,4-benzothiazine-4-carbonyl)-1-methylpyridin-2-one

5-(2,2-dimethyl-3H-1,4-benzothiazine-4-carbonyl)-1-methylpyridin-2-one (PubChem CID 71856348) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3H-1,4-benzothiazine-4-carbonyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(2,2-dimethyl-3H-1,4-benzothiazine-4-carbonyl)-1-methylpyridin-2-one
PubChem CID71856348
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name5-(2,2-dimethyl-3H-1,4-benzothiazine-4-carbonyl)-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CC(C)(C)Sc3ccccc32)ccc1=O
InChIInChI=1S/C17H18N2O2S/c1-17(2)11-19(13-6-4-5-7-14(13)22-17)16(21)12-8-9-15(20)18(3)10-12/h4-10H,11H2,1-3H3
InChIKeyJTWBRVVOWUXVDX-UHFFFAOYSA-N
XLogP2.92
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-dimethyl-3H-1,4-benzothiazin-4-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 71856349
4-(2,2-dimethyl-3H-1,4-benzothiazin-4-yl)-4-oxobutanoic acid
CID 53212909
(2,2-dimethyl-3H-1,4-benzothiazin-4-yl)-(5-nitro-2-pyridinyl)methanone
CID 71917360
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110693026
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70717882
1-(6-acetyl-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)-2,2,2-trifluoroethanone
CID 71682478
2-(1-methyl-6-oxopyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119195619
2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)propanoic acid
CID 20887502
1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one
CID 75461426
2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone
CID 47005084
1'-(1-methyl-6-oxopyridine-3-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164691166
1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one
CID 95591235

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-3H-1,4-benzothiazine-4-carbonyl)-1-methylpyridin-2-one?
The IUPAC name of 5-(2,2-dimethyl-3H-1,4-benzothiazine-4-carbonyl)-1-methylpyridin-2-one (CID 71856348) is 5-(2,2-dimethyl-3H-1,4-benzothiazine-4-carbonyl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(2,2-dimethyl-3H-1,4-benzothiazine-4-carbonyl)-1-methylpyridin-2-one?
The canonical SMILES for 5-(2,2-dimethyl-3H-1,4-benzothiazine-4-carbonyl)-1-methylpyridin-2-one is Cn1cc(C(=O)N2CC(C)(C)Sc3ccccc32)ccc1=O.
What is the InChIKey of 5-(2,2-dimethyl-3H-1,4-benzothiazine-4-carbonyl)-1-methylpyridin-2-one?
The InChIKey is JTWBRVVOWUXVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-17(2)11-19(13-6-4-5-7-14(13)22-17)16(21)12-8-9-15(20)18(3)10-12/h4-10H,11H2,1-3H3.
What are the key properties of 5-(2,2-dimethyl-3H-1,4-benzothiazine-4-carbonyl)-1-methylpyridin-2-one?
5-(2,2-dimethyl-3H-1,4-benzothiazine-4-carbonyl)-1-methylpyridin-2-one has a molecular weight of 314.41 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3H-1,4-benzothiazine-4-carbonyl)-1-methylpyridin-2-one is sourced from PubChem (CID 71856348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).