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

C19H25N3O3S — CID 17253509

IUPAC(2-ethylpiperidin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCCC1CCCCN1C(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C19H25N3O3S/c1-4-16-7-5-6-12-22(16)19(23)18-13-17(20-26(24,25)21(18)3)15-10-8-14(2)9-11-15/h8-11,13,16H,4-7,12H2,1-3H3
InChIKeyIJLQDURVWSTJJH-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.65
Rot. Bonds3

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

(2-ethylpiperidin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (PubChem CID 17253509) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
PubChem CID17253509
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name(2-ethylpiperidin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCCC1CCCCN1C(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C
InChIInChI=1S/C19H25N3O3S/c1-4-16-7-5-6-12-22(16)19(23)18-13-17(20-26(24,25)21(18)3)15-10-8-14(2)9-11-15/h8-11,13,16H,4-7,12H2,1-3H3
InChIKeyIJLQDURVWSTJJH-UHFFFAOYSA-N
XLogP2.65
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.65
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)-N-(1-phenylethyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 17253524
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
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 3237659
2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 3238346
N-benzyl-2-methyl-5-(4-methylphenyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 17253519
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

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (CID 17253509) is (2-ethylpiperidin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is CCC1CCCCN1C(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The InChIKey is IJLQDURVWSTJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-4-16-7-5-6-12-22(16)19(23)18-13-17(20-26(24,25)21(18)3)15-10-8-14(2)9-11-15/h8-11,13,16H,4-7,12H2,1-3H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
(2-ethylpiperidin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone has a molecular weight of 375.49 g/mol, XLogP of 2.65, 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)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is sourced from PubChem (CID 17253509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).