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

C16H21N3O5S — CID 46271556

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)NC(C)(C)CO)=C1
InChIInChI=1S/C16H21N3O5S/c1-16(2,10-20)17-15(21)13-9-12(18-25(22,23)19(13)3)11-7-5-6-8-14(11)24-4/h5-9,20H,10H2,1-4H3,(H,17,21)
InChIKeyDTXJSBAFJPUGAN-UHFFFAOYSA-N
MW367.43 g/mol
LogP0.45
Rot. Bonds5

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

N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 46271556) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID46271556
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)NC(C)(C)CO)=C1
InChIInChI=1S/C16H21N3O5S/c1-16(2,10-20)17-15(21)13-9-12(18-25(22,23)19(13)3)11-7-5-6-8-14(11)24-4/h5-9,20H,10H2,1-4H3,(H,17,21)
InChIKeyDTXJSBAFJPUGAN-UHFFFAOYSA-N
XLogP0.45
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253759
5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide
CID 17253671
N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253545
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253676
5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide
CID 17253677
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 110000867
N-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253765
N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide
CID 110489878
[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 17253796
N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide
CID 114308173
N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 99821335
N-(1-hydroxy-2-methylbutan-2-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 86786743

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 46271556) is N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)NC(C)(C)CO)=C1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is DTXJSBAFJPUGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-16(2,10-20)17-15(21)13-9-12(18-25(22,23)19(13)3)11-7-5-6-8-14(11)24-4/h5-9,20H,10H2,1-4H3,(H,17,21).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 46271556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).