[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperidin-1-yl)methanone

C15H19N3O4S — CID 22515294

IUPAC[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)CC1
InChIInChI=1S/C15H19N3O4S/c1-11-5-7-18(8-6-11)15(19)13-10-12(14-4-3-9-22-14)16-23(20,21)17(13)2/h3-4,9-11H,5-8H2,1-2H3
InChIKeyDANRQLRMGXCIPL-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.40
Rot. Bonds2

About [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperidin-1-yl)methanone

[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 22515294) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID22515294
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)CC1
InChIInChI=1S/C15H19N3O4S/c1-11-5-7-18(8-6-11)15(19)13-10-12(14-4-3-9-22-14)16-23(20,21)17(13)2/h3-4,9-11H,5-8H2,1-2H3
InChIKeyDANRQLRMGXCIPL-UHFFFAOYSA-N
XLogP1.40
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 22515294) is [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)CC1.
What is the InChIKey of [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is DANRQLRMGXCIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-11-5-7-18(8-6-11)15(19)13-10-12(14-4-3-9-22-14)16-23(20,21)17(13)2/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 337.40 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 22515294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).