(2,6-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone

C18H22FN3O3S — CID 22515211

IUPAC(2,6-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCC1CCCC(C)N1C(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C18H22FN3O3S/c1-12-5-4-6-13(2)22(12)18(23)17-11-16(20-26(24,25)21(17)3)14-7-9-15(19)10-8-14/h7-13H,4-6H2,1-3H3
InChIKeyVWZXHPZJIXQZBY-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.48
Rot. Bonds2

About (2,6-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone

(2,6-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (PubChem CID 22515211) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
PubChem CID22515211
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC Name(2,6-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCC1CCCC(C)N1C(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C18H22FN3O3S/c1-12-5-4-6-13(2)22(12)18(23)17-11-16(20-26(24,25)21(17)3)14-7-9-15(19)10-8-14/h7-13H,4-6H2,1-3H3
InChIKeyVWZXHPZJIXQZBY-UHFFFAOYSA-N
XLogP2.48
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (CID 22515211) is (2,6-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is CC1CCCC(C)N1C(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The InChIKey is VWZXHPZJIXQZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-12-5-4-6-13(2)22(12)18(23)17-11-16(20-26(24,25)21(17)3)14-7-9-15(19)10-8-14/h7-13H,4-6H2,1-3H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
(2,6-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is sourced from PubChem (CID 22515211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).