6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide

C22H23ClN4O3S — CID 16666297

IUPAC6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide
SMILESO=C(NN1CCCCC1)C1=NS(=O)(=O)N(Cc2ccccc2)C(c2ccc(Cl)cc2)=C1
InChIInChI=1S/C22H23ClN4O3S/c23-19-11-9-18(10-12-19)21-15-20(22(28)24-26-13-5-2-6-14-26)25-31(29,30)27(21)16-17-7-3-1-4-8-17/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,24,28)
InChIKeyPQHMHJIMVSLJDC-UHFFFAOYSA-N
MW458.97 g/mol
LogP3.40
Rot. Bonds5

About 6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide

6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide (PubChem CID 16666297) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is 6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide
PubChem CID16666297
Molecular FormulaC22H23ClN4O3S
Molecular Weight458.97 g/mol
Exact Mass458.12
IUPAC Name6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide
SMILESO=C(NN1CCCCC1)C1=NS(=O)(=O)N(Cc2ccccc2)C(c2ccc(Cl)cc2)=C1
InChIInChI=1S/C22H23ClN4O3S/c23-19-11-9-18(10-12-19)21-15-20(22(28)24-26-13-5-2-6-14-26)25-31(29,30)27(21)16-17-7-3-1-4-8-17/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,24,28)
InChIKeyPQHMHJIMVSLJDC-UHFFFAOYSA-N
XLogP3.40
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide (CID 16666297) is 6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide is O=C(NN1CCCCC1)C1=NS(=O)(=O)N(Cc2ccccc2)C(c2ccc(Cl)cc2)=C1.
What is the InChIKey of 6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is PQHMHJIMVSLJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c23-19-11-9-18(10-12-19)21-15-20(22(28)24-26-13-5-2-6-14-26)25-31(29,30)27(21)16-17-7-3-1-4-8-17/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,24,28).
What are the key properties of 6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide?
6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 458.97 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 16666297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).