N-(1-methoxypropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C16H21N3O4S — CID 17253534

IUPACN-(1-methoxypropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOCC(C)NC(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C16H21N3O4S/c1-11-5-7-13(8-6-11)14-9-15(19(3)24(21,22)18-14)16(20)17-12(2)10-23-4/h5-9,12H,10H2,1-4H3,(H,17,20)
InChIKeyIHBCFEITBMLKBC-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.01
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

N-(1-methoxypropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253534) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253534
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-(1-methoxypropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOCC(C)NC(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C16H21N3O4S/c1-11-5-7-13(8-6-11)14-9-15(19(3)24(21,22)18-14)16(20)17-12(2)10-23-4/h5-9,12H,10H2,1-4H3,(H,17,20)
InChIKeyIHBCFEITBMLKBC-UHFFFAOYSA-N
XLogP1.01
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 17253534) is N-(1-methoxypropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is COCC(C)NC(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is IHBCFEITBMLKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-11-5-7-13(8-6-11)14-9-15(19(3)24(21,22)18-14)16(20)17-12(2)10-23-4/h5-9,12H,10H2,1-4H3,(H,17,20).
What are the key properties of N-(1-methoxypropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-(1-methoxypropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).