5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C17H23N3O6S — CID 17253759

IUPAC5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)(C)CO)=C2)cc1OC
InChIInChI=1S/C17H23N3O6S/c1-17(2,10-21)18-16(22)13-9-12(19-27(23,24)20(13)3)11-6-7-14(25-4)15(8-11)26-5/h6-9,21H,10H2,1-5H3,(H,18,22)
InChIKeyYKUDDBYCFMHBRU-UHFFFAOYSA-N
MW397.45 g/mol
LogP0.45
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253759) has the molecular formula C17H23N3O6S and a molecular weight of 397.45 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253759
Molecular FormulaC17H23N3O6S
Molecular Weight397.45 g/mol
Exact Mass397.13
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)(C)CO)=C2)cc1OC
InChIInChI=1S/C17H23N3O6S/c1-17(2,10-21)18-16(22)13-9-12(19-27(23,24)20(13)3)11-6-7-14(25-4)15(8-11)26-5/h6-9,21H,10H2,1-5H3,(H,18,22)
InChIKeyYKUDDBYCFMHBRU-UHFFFAOYSA-N
XLogP0.45
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 22515237
5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
CID 22515232
5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253725
5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid
CID 159261165
N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 22515239
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253676
2-(cyclopropylmethyl)-5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 160957019
5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide
CID 17253671
2-(cyclopropylmethyl)-5-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 158638522
5-(3,4-dimethoxyphenyl)-1,1-dioxo-2-propan-2-yl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,2,6-thiadiazine-3-carboxamide
CID 156635771
methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
CID 135316727
N-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253511

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 17253759) is 5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)(C)CO)=C2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is YKUDDBYCFMHBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6S/c1-17(2,10-21)18-16(22)13-9-12(19-27(23,24)20(13)3)11-6-7-14(25-4)15(8-11)26-5/h6-9,21H,10H2,1-5H3,(H,18,22).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).