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

C18H24N4O4S — CID 6625740

IUPAC(4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCCN1CCN(C(=O)C2=CC(c3ccc(OC)cc3)=NS(=O)(=O)N2C)CC1
InChIInChI=1S/C18H24N4O4S/c1-4-21-9-11-22(12-10-21)18(23)17-13-16(19-27(24,25)20(17)2)14-5-7-15(26-3)8-6-14/h5-8,13H,4,9-12H2,1-3H3
InChIKeySTUNYKPONRMWHR-UHFFFAOYSA-N
MW392.48 g/mol
LogP0.72
Rot. Bonds4

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

(4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (PubChem CID 6625740) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
PubChem CID6625740
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name(4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCCN1CCN(C(=O)C2=CC(c3ccc(OC)cc3)=NS(=O)(=O)N2C)CC1
InChIInChI=1S/C18H24N4O4S/c1-4-21-9-11-22(12-10-21)18(23)17-13-16(19-27(24,25)20(17)2)14-5-7-15(26-3)8-6-14/h5-8,13H,4,9-12H2,1-3H3
InChIKeySTUNYKPONRMWHR-UHFFFAOYSA-N
XLogP0.72
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 50.72
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
(2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
CID 6625626
[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-piperidin-1-ylmethanone
CID 17253786
5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
CID 17253571
(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone
CID 110849904
[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42785656
(4-ethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 91946021
1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 3440273
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371
3-(4-ethylpiperazin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109017688
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(5-methoxy-2-pyridinyl)methanone
CID 71724969
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-(4-methoxyphenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 53116142

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (CID 6625740) is (4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is CCN1CCN(C(=O)C2=CC(c3ccc(OC)cc3)=NS(=O)(=O)N2C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The InChIKey is STUNYKPONRMWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-4-21-9-11-22(12-10-21)18(23)17-13-16(19-27(24,25)20(17)2)14-5-7-15(26-3)8-6-14/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
(4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone has a molecular weight of 392.48 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is sourced from PubChem (CID 6625740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).