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

C18H23N3O3S — CID 6625739

IUPAC[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCCC3C)=C2)cc1
InChIInChI=1S/C18H23N3O3S/c1-13-7-9-15(10-8-13)16-12-17(20(3)25(23,24)19-16)18(22)21-11-5-4-6-14(21)2/h7-10,12,14H,4-6,11H2,1-3H3
InChIKeyDJPFMSLMPIZYKA-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.26
Rot. Bonds2

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

[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 6625739) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID6625739
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCCC3C)=C2)cc1
InChIInChI=1S/C18H23N3O3S/c1-13-7-9-15(10-8-13)16-12-17(20(3)25(23,24)19-16)18(22)21-11-5-4-6-14(21)2/h7-10,12,14H,4-6,11H2,1-3H3
InChIKeyDJPFMSLMPIZYKA-UHFFFAOYSA-N
XLogP2.26
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.26
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-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone (CID 6625739) is [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone is Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCCC3C)=C2)cc1.
What is the InChIKey of [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is DJPFMSLMPIZYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-7-9-15(10-8-13)16-12-17(20(3)25(23,24)19-16)18(22)21-11-5-4-6-14(21)2/h7-10,12,14H,4-6,11H2,1-3H3.
What are the key properties of [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone?
[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 361.47 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 6625739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).