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

C16H21N3O4S — CID 17253545

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)(C)CO)=C2)cc1
InChIInChI=1S/C16H21N3O4S/c1-11-5-7-12(8-6-11)13-9-14(19(4)24(22,23)18-13)15(21)17-16(2,3)10-20/h5-9,20H,10H2,1-4H3,(H,17,21)
InChIKeyOGHBVNNRDFOSMO-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.75
Rot. Bonds4

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

N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253545) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253545
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)(C)CO)=C2)cc1
InChIInChI=1S/C16H21N3O4S/c1-11-5-7-12(8-6-11)13-9-14(19(4)24(22,23)18-13)15(21)17-16(2,3)10-20/h5-9,20H,10H2,1-4H3,(H,17,21)
InChIKeyOGHBVNNRDFOSMO-UHFFFAOYSA-N
XLogP0.75
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 17253545) is N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)(C)CO)=C2)cc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is OGHBVNNRDFOSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-11-5-7-12(8-6-11)13-9-14(19(4)24(22,23)18-13)15(21)17-16(2,3)10-20/h5-9,20H,10H2,1-4H3,(H,17,21).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-(1-hydroxy-2-methylpropan-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 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).