5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide

C14H17N3O5S — CID 22515292

IUPAC5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)NCC2CCCO2)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C14H17N3O5S/c1-17-12(14(18)15-9-10-4-2-6-21-10)8-11(16-23(17,19)20)13-5-3-7-22-13/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,15,18)
InChIKeyPMQHSTRXEQGWKA-UHFFFAOYSA-N
MW339.37 g/mol
LogP0.44
Rot. Bonds4

About 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide

5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide (PubChem CID 22515292) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
PubChem CID22515292
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)NCC2CCCO2)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C14H17N3O5S/c1-17-12(14(18)15-9-10-4-2-6-21-10)8-11(16-23(17,19)20)13-5-3-7-22-13/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,15,18)
InChIKeyPMQHSTRXEQGWKA-UHFFFAOYSA-N
XLogP0.44
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide (CID 22515292) is 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide is CN1C(C(=O)NCC2CCCO2)=CC(c2ccco2)=NS1(=O)=O.
What is the InChIKey of 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is PMQHSTRXEQGWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-17-12(14(18)15-9-10-4-2-6-21-10)8-11(16-23(17,19)20)13-5-3-7-22-13/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,15,18).
What are the key properties of 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 22515292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).