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

C16H21N3O3S — CID 17253536

IUPACN,N-diethyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCCN(CC)C(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C16H21N3O3S/c1-5-19(6-2)16(20)15-11-14(17-23(21,22)18(15)4)13-9-7-12(3)8-10-13/h7-11H,5-6H2,1-4H3
InChIKeyJRQSWFMIIDIWSR-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.73
Rot. Bonds4

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

N,N-diethyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253536) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253536
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN,N-diethyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCCN(CC)C(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C16H21N3O3S/c1-5-19(6-2)16(20)15-11-14(17-23(21,22)18(15)4)13-9-7-12(3)8-10-13/h7-11H,5-6H2,1-4H3
InChIKeyJRQSWFMIIDIWSR-UHFFFAOYSA-N
XLogP1.73
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N,N-diethyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 17253536) is N,N-diethyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N,N-diethyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is CCN(CC)C(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C.
What is the InChIKey of N,N-diethyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is JRQSWFMIIDIWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-5-19(6-2)16(20)15-11-14(17-23(21,22)18(15)4)13-9-7-12(3)8-10-13/h7-11H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N,N-diethyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).