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

C17H20FN3O3S — CID 22515210

IUPAC[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C17H20FN3O3S/c1-12-5-3-4-10-21(12)17(22)16-11-15(19-25(23,24)20(16)2)13-6-8-14(18)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyNYEXHMZDOXYNEG-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.09
Rot. Bonds2

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

[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 22515210) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID22515210
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC Name[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C17H20FN3O3S/c1-12-5-3-4-10-21(12)17(22)16-11-15(19-25(23,24)20(16)2)13-6-8-14(18)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyNYEXHMZDOXYNEG-UHFFFAOYSA-N
XLogP2.09
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone (CID 22515210) is [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C.
What is the InChIKey of [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is NYEXHMZDOXYNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-12-5-3-4-10-21(12)17(22)16-11-15(19-25(23,24)20(16)2)13-6-8-14(18)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3.
What are the key properties of [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone?
[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 365.43 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 22515210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).