[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone

C17H21N3O3S — CID 17253529

IUPAC[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCCC3)=C2)cc1
InChIInChI=1S/C17H21N3O3S/c1-13-6-8-14(9-7-13)15-12-16(19(2)24(22,23)18-15)17(21)20-10-4-3-5-11-20/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyAQSMMBRHIGZSHR-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.87
Rot. Bonds2

About [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone

[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone (PubChem CID 17253529) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone
PubChem CID17253529
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCCC3)=C2)cc1
InChIInChI=1S/C17H21N3O3S/c1-13-6-8-14(9-7-13)15-12-16(19(2)24(22,23)18-15)17(21)20-10-4-3-5-11-20/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyAQSMMBRHIGZSHR-UHFFFAOYSA-N
XLogP1.87
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone (CID 17253529) is [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone is Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCCC3)=C2)cc1.
What is the InChIKey of [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is AQSMMBRHIGZSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13-6-8-14(9-7-13)15-12-16(19(2)24(22,23)18-15)17(21)20-10-4-3-5-11-20/h6-9,12H,3-5,10-11H2,1-2H3.
What are the key properties of [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone?
[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 347.44 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 17253529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).