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

C18H22FN3O3S — CID 22515209

IUPAC(2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCCC1CCCCN1C(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C18H22FN3O3S/c1-3-15-6-4-5-11-22(15)18(23)17-12-16(20-26(24,25)21(17)2)13-7-9-14(19)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3
InChIKeyLHAUBTUTZWFLBH-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.48
Rot. Bonds3

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

(2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (PubChem CID 22515209) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
PubChem CID22515209
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC Name(2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCCC1CCCCN1C(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C18H22FN3O3S/c1-3-15-6-4-5-11-22(15)18(23)17-12-16(20-26(24,25)21(17)2)13-7-9-14(19)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3
InChIKeyLHAUBTUTZWFLBH-UHFFFAOYSA-N
XLogP2.48
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3(2H)-one
CID 5057198
N-cyclopentyl-2-methyl-5-(4-methylphenyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 17253511
N-(4-fluorobenzyl)-2-methyl-5-(4-methylphenyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 17253512
2-methyl-5-(4-methylphenyl)-3-(4-morpholinylcarbonyl)-2H-1,2,6-thiadiazine 1,1-dioxide
CID 17253528
N-cyclohexyl-N,2-dimethyl-5-(4-methylphenyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 17253523
N-cyclohexyl-2-methyl-5-(4-methylphenyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 22515171
2-Methyl-5-(4-methylphenyl)-3-(piperidylcarbonyl)-1,2,6-thiadiazine-1,1-dione
CID 17253529
3-[(4-Ethylpiperazinyl)carbonyl]-2-methyl-5-(4-methylphenyl)-1,2,6-thiadiazine-1,1-dione
CID 17253541
2-{[5-(4-fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 17253710
5-(4-Fluorophenyl)-2-methyl-3-{[4-benzylpiperazinyl]carbonyl}-1,2,6-thiadiazin e-1,1-dione
CID 6625590
5-(4-Fluorophenyl)-2-methyl-N-(2-methyl-2-propanyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 6625628
N,N-diethyl-5-(4-fluorophenyl)-2-methyl-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 6625664

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (CID 22515209) is (2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is CCC1CCCCN1C(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The InChIKey is LHAUBTUTZWFLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-3-15-6-4-5-11-22(15)18(23)17-12-16(20-26(24,25)21(17)2)13-7-9-14(19)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
(2-ethylpiperidin-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, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is sourced from PubChem (CID 22515209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).