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

C17H21N3O3S — CID 17253511

IUPACN-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC3CCCC3)=C2)cc1
InChIInChI=1S/C17H21N3O3S/c1-12-7-9-13(10-8-12)15-11-16(20(2)24(22,23)19-15)17(21)18-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,18,21)
InChIKeyZHQYTIMNYDWDBG-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.92
Rot. Bonds3

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

N-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253511) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253511
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC3CCCC3)=C2)cc1
InChIInChI=1S/C17H21N3O3S/c1-12-7-9-13(10-8-12)15-11-16(20(2)24(22,23)19-15)17(21)18-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,18,21)
InChIKeyZHQYTIMNYDWDBG-UHFFFAOYSA-N
XLogP1.92
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 95799157
N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253545
[(4R,4aR,8aS)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
CID 51426998
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclohexyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46032904
N-cyclobutyl-5-methylpyridine-2-carboxamide
CID 170056265
N-cycloheptyl-5-(4-methylanilino)pyridine-2-carboxamide
CID 109195297
N-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
CID 50790928
5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 58433770
N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109249542
N-cyclohexyl-4-(4-methyl-2-pyridinyl)benzamide
CID 59672894

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 17253511) is N-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-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)NC3CCCC3)=C2)cc1.
What is the InChIKey of N-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is ZHQYTIMNYDWDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-7-9-13(10-8-12)15-11-16(20(2)24(22,23)19-15)17(21)18-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,18,21).
What are the key properties of N-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).