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

C13H17N3O4S — CID 22515311

IUPACN,N-diethyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCCN(CC)C(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C
InChIInChI=1S/C13H17N3O4S/c1-4-16(5-2)13(17)11-9-10(12-7-6-8-20-12)14-21(18,19)15(11)3/h6-9H,4-5H2,1-3H3
InChIKeyVYVDNOCBJGSTGT-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.01
Rot. Bonds4

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

N,N-diethyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 22515311) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is N,N-diethyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID22515311
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN,N-diethyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCCN(CC)C(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C
InChIInChI=1S/C13H17N3O4S/c1-4-16(5-2)13(17)11-9-10(12-7-6-8-20-12)14-21(18,19)15(11)3/h6-9H,4-5H2,1-3H3
InChIKeyVYVDNOCBJGSTGT-UHFFFAOYSA-N
XLogP1.01
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N,N-diethyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 22515311) is N,N-diethyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is CCN(CC)C(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C.
What is the InChIKey of N,N-diethyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is VYVDNOCBJGSTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-4-16(5-2)13(17)11-9-10(12-7-6-8-20-12)14-21(18,19)15(11)3/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N,N-diethyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 22515311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).