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

C18H24N4O3S — CID 17253541

IUPAC(4-ethylpiperazin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCCN1CCN(C(=O)C2=CC(c3ccc(C)cc3)=NS(=O)(=O)N2C)CC1
InChIInChI=1S/C18H24N4O3S/c1-4-21-9-11-22(12-10-21)18(23)17-13-16(19-26(24,25)20(17)3)15-7-5-14(2)6-8-15/h5-8,13H,4,9-12H2,1-3H3
InChIKeyNWCMPSVAEUAHPT-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.02
Rot. Bonds3

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

(4-ethylpiperazin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (PubChem CID 17253541) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
PubChem CID17253541
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name(4-ethylpiperazin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCCN1CCN(C(=O)C2=CC(c3ccc(C)cc3)=NS(=O)(=O)N2C)CC1
InChIInChI=1S/C18H24N4O3S/c1-4-21-9-11-22(12-10-21)18(23)17-13-16(19-26(24,25)20(17)3)15-7-5-14(2)6-8-15/h5-8,13H,4,9-12H2,1-3H3
InChIKeyNWCMPSVAEUAHPT-UHFFFAOYSA-N
XLogP1.02
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (CID 17253541) is (4-ethylpiperazin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is CCN1CCN(C(=O)C2=CC(c3ccc(C)cc3)=NS(=O)(=O)N2C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The InChIKey is NWCMPSVAEUAHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-4-21-9-11-22(12-10-21)18(23)17-13-16(19-26(24,25)20(17)3)15-7-5-14(2)6-8-15/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
(4-ethylpiperazin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone has a molecular weight of 376.48 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is sourced from PubChem (CID 17253541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).