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

C16H21N3O4S — CID 22515298

IUPAC(2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCC1CCCC(C)N1C(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C
InChIInChI=1S/C16H21N3O4S/c1-11-6-4-7-12(2)19(11)16(20)14-10-13(15-8-5-9-23-15)17-24(21,22)18(14)3/h5,8-12H,4,6-7H2,1-3H3
InChIKeyNWZLQCPQDKZIAA-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.93
Rot. Bonds2

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

(2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (PubChem CID 22515298) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
PubChem CID22515298
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name(2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCC1CCCC(C)N1C(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C
InChIInChI=1S/C16H21N3O4S/c1-11-6-4-7-12(2)19(11)16(20)14-10-13(15-8-5-9-23-15)17-24(21,22)18(14)3/h5,8-12H,4,6-7H2,1-3H3
InChIKeyNWZLQCPQDKZIAA-UHFFFAOYSA-N
XLogP1.93
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (CID 22515298) is (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is CC1CCCC(C)N1C(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The InChIKey is NWZLQCPQDKZIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-11-6-4-7-12(2)19(11)16(20)14-10-13(15-8-5-9-23-15)17-24(21,22)18(14)3/h5,8-12H,4,6-7H2,1-3H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
(2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone has a molecular weight of 351.43 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is sourced from PubChem (CID 22515298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).