1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone

C16H19N3O6S — CID 22515315

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCN1C(C(=O)N2CCC3(CC2)OCCO3)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C16H19N3O6S/c1-18-13(11-12(17-26(18,21)22)14-3-2-8-23-14)15(20)19-6-4-16(5-7-19)24-9-10-25-16/h2-3,8,11H,4-7,9-10H2,1H3
InChIKeyGVELJEJCIIDWEH-UHFFFAOYSA-N
MW381.41 g/mol
LogP0.51
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (PubChem CID 22515315) has the molecular formula C16H19N3O6S and a molecular weight of 381.41 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
PubChem CID22515315
Molecular FormulaC16H19N3O6S
Molecular Weight381.41 g/mol
Exact Mass381.10
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCN1C(C(=O)N2CCC3(CC2)OCCO3)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C16H19N3O6S/c1-18-13(11-12(17-26(18,21)22)14-3-2-8-23-14)15(20)19-6-4-16(5-7-19)24-9-10-25-16/h2-3,8,11H,4-7,9-10H2,1H3
InChIKeyGVELJEJCIIDWEH-UHFFFAOYSA-N
XLogP0.51
TPSA101.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Furyl)-2-methyl-N-(tetrahydro-2-furanylmethyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 22515292
N,N-diethyl-5-(2-furyl)-2-methyl-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 22515311
[5-(2-Furyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL](2-methyl-1-piperidinyl)methanone
CID 22515295
[4-(2-Furoyl)-1-piperazinyl][5-(2-furyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL]methanone
CID 22515316
[5-(2-Furyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL](4-methyl-1-piperazinyl)methanone
CID 22515291
(2-Ethyl-1-piperidinyl)[5-(2-furyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL]methanone
CID 22515293
[5-(2-Furyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL](4-methyl-1-piperidinyl)methanone
CID 22515294
N-cyclopentyl-5-(2-furyl)-2-methyl-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 22515296
(2,6-Dimethyl-1-piperidinyl)[5-(2-furyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL]methanone
CID 22515298
N-cyclohexyl-5-(2-furyl)-2-methyl-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 22515299
5-(2-Furyl)-2-methyl-N-[2-(4-morpholinyl)ethyl]-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 22515305
N-Sec-butyl-5-(2-furyl)-2-methyl-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 22515306

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (CID 22515315) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is CN1C(C(=O)N2CCC3(CC2)OCCO3)=CC(c2ccco2)=NS1(=O)=O.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The InChIKey is GVELJEJCIIDWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6S/c1-18-13(11-12(17-26(18,21)22)14-3-2-8-23-14)15(20)19-6-4-16(5-7-19)24-9-10-25-16/h2-3,8,11H,4-7,9-10H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone has a molecular weight of 381.41 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is sourced from PubChem (CID 22515315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).