[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone

C16H19N3O4S — CID 17253528

IUPAC[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCOCC3)=C2)cc1
InChIInChI=1S/C16H19N3O4S/c1-12-3-5-13(6-4-12)14-11-15(18(2)24(21,22)17-14)16(20)19-7-9-23-10-8-19/h3-6,11H,7-10H2,1-2H3
InChIKeySAEVYOBFBQILJW-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.72
Rot. Bonds2

About [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone

[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone (PubChem CID 17253528) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone
PubChem CID17253528
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCOCC3)=C2)cc1
InChIInChI=1S/C16H19N3O4S/c1-12-3-5-13(6-4-12)14-11-15(18(2)24(21,22)17-14)16(20)19-7-9-23-10-8-19/h3-6,11H,7-10H2,1-2H3
InChIKeySAEVYOBFBQILJW-UHFFFAOYSA-N
XLogP0.72
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

2-(2-morpholino-2-oxoethyl)-6-phenylpyridazin-3(2H)-one
CID 5053337
3(2H)-Pyridazinone, 4-methyl-2-(morpholinocarbonylmethyl)-6-phenyl-
CID 207645
N-cyclohexyl-N,2-dimethyl-5-(4-methylphenyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 17253523
2-Methyl-5-(4-methylphenyl)-3-(piperidylcarbonyl)-1,2,6-thiadiazine-1,1-dione
CID 17253529
3-[(4-Ethylpiperazinyl)carbonyl]-2-methyl-5-(4-methylphenyl)-1,2,6-thiadiazine-1,1-dione
CID 17253541
3(2H)-Pyridazinone, 4-methyl-2-(2-morpholinoethyl)-6-(p-tolyl)-, hydrochloride
CID 207183
(4-Ethyl-1-piperazinyl)[5-(4-fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL]methanone
CID 22515224
2-Methyl-5-(4-methylphenyl)-3-[(2-methylpiperidyl)carbonyl]-1,2,6-thiadiazine-1,1-dione
CID 6625739
2-Methyl-5-(4-methylphenyl)-3-[(4-methylpiperidyl)carbonyl]-1,2,6-thiadiazine-1,1-dione
CID 17253510
N-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 17253527
N-(2-methoxy-isopropyl)[2-methyl-5-(4-methylphenyl)-1,1-dioxo(1,2,6-thiadiazin-3-yl)]carboxamide
CID 17253534
[5-(4-Fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL](4-methyl-1-piperazinyl)methanone
CID 22515207

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone (CID 17253528) is [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone is Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCOCC3)=C2)cc1.
What is the InChIKey of [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is SAEVYOBFBQILJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-12-3-5-13(6-4-12)14-11-15(18(2)24(21,22)17-14)16(20)19-7-9-23-10-8-19/h3-6,11H,7-10H2,1-2H3.
What are the key properties of [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone?
[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 349.41 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 17253528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).