N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C15H18FN3O3S — CID 6625664

IUPACN,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCCN(CC)C(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C15H18FN3O3S/c1-4-19(5-2)15(20)14-10-13(17-23(21,22)18(14)3)11-6-8-12(16)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyHJLUSNHFYVODAG-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.56
Rot. Bonds4

About N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 6625664) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID6625664
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC NameN,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCCN(CC)C(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C15H18FN3O3S/c1-4-19(5-2)15(20)14-10-13(17-23(21,22)18(14)3)11-6-8-12(16)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyHJLUSNHFYVODAG-UHFFFAOYSA-N
XLogP1.56
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 6625664) is N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is CCN(CC)C(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C.
What is the InChIKey of N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is HJLUSNHFYVODAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-4-19(5-2)15(20)14-10-13(17-23(21,22)18(14)3)11-6-8-12(16)9-7-11/h6-10H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 6625664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).