furan-2-yl-[4-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperazin-1-yl]methanone

C18H18N4O6S — CID 22515316

IUPACfuran-2-yl-[4-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperazin-1-yl]methanone
SMILESCN1C(C(=O)N2CCN(C(=O)c3ccco3)CC2)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C18H18N4O6S/c1-20-14(12-13(19-29(20,25)26)15-4-2-10-27-15)17(23)21-6-8-22(9-7-21)18(24)16-5-3-11-28-16/h2-5,10-12H,6-9H2,1H3
InChIKeyWHXILLORARTXHR-UHFFFAOYSA-N
MW418.43 g/mol
LogP0.72
Rot. Bonds3

About furan-2-yl-[4-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 22515316) has the molecular formula C18H18N4O6S and a molecular weight of 418.43 g/mol. Its IUPAC name is furan-2-yl-[4-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperazin-1-yl]methanone
PubChem CID22515316
Molecular FormulaC18H18N4O6S
Molecular Weight418.43 g/mol
Exact Mass418.09
IUPAC Namefuran-2-yl-[4-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperazin-1-yl]methanone
SMILESCN1C(C(=O)N2CCN(C(=O)c3ccco3)CC2)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C18H18N4O6S/c1-20-14(12-13(19-29(20,25)26)15-4-2-10-27-15)17(23)21-6-8-22(9-7-21)18(24)16-5-3-11-28-16/h2-5,10-12H,6-9H2,1H3
InChIKeyWHXILLORARTXHR-UHFFFAOYSA-N
XLogP0.72
TPSA116.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperazin-1-yl]methanone (CID 22515316) is furan-2-yl-[4-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperazin-1-yl]methanone is CN1C(C(=O)N2CCN(C(=O)c3ccco3)CC2)=CC(c2ccco2)=NS1(=O)=O.
What is the InChIKey of furan-2-yl-[4-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is WHXILLORARTXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O6S/c1-20-14(12-13(19-29(20,25)26)15-4-2-10-27-15)17(23)21-6-8-22(9-7-21)18(24)16-5-3-11-28-16/h2-5,10-12H,6-9H2,1H3.
What are the key properties of furan-2-yl-[4-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 418.43 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 22515316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).