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

C16H21N3O4S — CID 22515293

IUPAC(2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCCC1CCCCN1C(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C
InChIInChI=1S/C16H21N3O4S/c1-3-12-7-4-5-9-19(12)16(20)14-11-13(15-8-6-10-23-15)17-24(21,22)18(14)2/h6,8,10-12H,3-5,7,9H2,1-2H3
InChIKeyALDJHHTWLJSQSO-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.93
Rot. Bonds3

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

(2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (PubChem CID 22515293) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
PubChem CID22515293
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name(2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCCC1CCCCN1C(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C
InChIInChI=1S/C16H21N3O4S/c1-3-12-7-4-5-9-19(12)16(20)14-11-13(15-8-6-10-23-15)17-24(21,22)18(14)2/h6,8,10-12H,3-5,7,9H2,1-2H3
InChIKeyALDJHHTWLJSQSO-UHFFFAOYSA-N
XLogP1.93
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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-ethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (CID 22515293) is (2-ethylpiperidin-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-ethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is CCC1CCCCN1C(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The InChIKey is ALDJHHTWLJSQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-3-12-7-4-5-9-19(12)16(20)14-11-13(15-8-6-10-23-15)17-24(21,22)18(14)2/h6,8,10-12H,3-5,7,9H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
(2-ethylpiperidin-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, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is sourced from PubChem (CID 22515293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).