(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

C20H22N4O5S2 — CID 55384101

IUPAC(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H22N4O5S2/c25-20(18-7-4-9-22-14-16-30(26,27)21-19(18)22)23-10-12-24(13-11-23)31(28,29)15-8-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2/b15-8+
InChIKeyRQCLVGKRQZYPPT-OVCLIPMQSA-N
MW462.55 g/mol
LogP0.63
Rot. Bonds4

About (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone (PubChem CID 55384101) has the molecular formula C20H22N4O5S2 and a molecular weight of 462.55 g/mol. Its IUPAC name is (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
PubChem CID55384101
Molecular FormulaC20H22N4O5S2
Molecular Weight462.55 g/mol
Exact Mass462.10
IUPAC Name(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H22N4O5S2/c25-20(18-7-4-9-22-14-16-30(26,27)21-19(18)22)23-10-12-24(13-11-23)31(28,29)15-8-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2/b15-8+
InChIKeyRQCLVGKRQZYPPT-OVCLIPMQSA-N
XLogP0.63
TPSA107.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone (CID 55384101) is (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone is O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is RQCLVGKRQZYPPT-OVCLIPMQSA-N. The full InChI is InChI=1S/C20H22N4O5S2/c25-20(18-7-4-9-22-14-16-30(26,27)21-19(18)22)23-10-12-24(13-11-23)31(28,29)15-8-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2/b15-8+.
What are the key properties of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 462.55 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 55384101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).