[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone

C18H23N3O5S — CID 17253786

IUPAC[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCCC3)=C2)c1
InChIInChI=1S/C18H23N3O5S/c1-20-16(18(22)21-9-5-4-6-10-21)12-15(19-27(20,23)24)14-11-13(25-2)7-8-17(14)26-3/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyAJYUWTLXORLXSE-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.58
Rot. Bonds4

About [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone

[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone (PubChem CID 17253786) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone
PubChem CID17253786
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCCC3)=C2)c1
InChIInChI=1S/C18H23N3O5S/c1-20-16(18(22)21-9-5-4-6-10-21)12-15(19-27(20,23)24)14-11-13(25-2)7-8-17(14)26-3/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyAJYUWTLXORLXSE-UHFFFAOYSA-N
XLogP1.58
TPSA88.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 17253796
N-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253765
(4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
CID 6625740
5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide
CID 17253671
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 22515239
5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide
CID 17253677
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342901
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253676
N-(2,5-dimethoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102951
(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
CID 164894070
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone (CID 17253786) is [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone is COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCCC3)=C2)c1.
What is the InChIKey of [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is AJYUWTLXORLXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-20-16(18(22)21-9-5-4-6-10-21)12-15(19-27(20,23)24)14-11-13(25-2)7-8-17(14)26-3/h7-8,11-12H,4-6,9-10H2,1-3H3.
What are the key properties of [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone?
[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 393.47 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 17253786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).