3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine

C16H22N4O2S2 — CID 121058587

IUPAC3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine
SMILESCCCCS(=O)(=O)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C16H22N4O2S2/c1-2-3-13-24(21,22)20-10-8-19(9-11-20)16-7-6-14(17-18-16)15-5-4-12-23-15/h4-7,12H,2-3,8-11,13H2,1H3
InChIKeyDUNOFKWGERVGSI-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.46
Rot. Bonds6

About 3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine

3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine (PubChem CID 121058587) has the molecular formula C16H22N4O2S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine
PubChem CID121058587
Molecular FormulaC16H22N4O2S2
Molecular Weight366.51 g/mol
Exact Mass366.12
IUPAC Name3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine
SMILESCCCCS(=O)(=O)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C16H22N4O2S2/c1-2-3-13-24(21,22)20-10-8-19(9-11-20)16-7-6-14(17-18-16)15-5-4-12-23-15/h4-7,12H,2-3,8-11,13H2,1H3
InChIKeyDUNOFKWGERVGSI-UHFFFAOYSA-N
XLogP2.46
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(4-butylsulfonylpiperazin-1-yl)pyridazin-3-yl]azepane
CID 121053116
1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 6464966
2-methyl-5-(6-thiophen-2-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 24824704
(4-pentan-2-ylpiperazin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 20947299
1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine
CID 113079193
2-(4-butylsulfonylpiperazin-1-yl)pyrimidine
CID 6466592
2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 41233311
3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine
CID 121038125
2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 41233272
3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine
CID 122341744
(3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058643
(3,4-dimethoxyphenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 18569372

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine?
The IUPAC name of 3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine (CID 121058587) is 3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine.
What is the SMILES notation for 3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine?
The canonical SMILES for 3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine is CCCCS(=O)(=O)N1CCN(c2ccc(-c3cccs3)nn2)CC1.
What is the InChIKey of 3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine?
The InChIKey is DUNOFKWGERVGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S2/c1-2-3-13-24(21,22)20-10-8-19(9-11-20)16-7-6-14(17-18-16)15-5-4-12-23-15/h4-7,12H,2-3,8-11,13H2,1H3.
What are the key properties of 3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine?
3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine has a molecular weight of 366.51 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine is sourced from PubChem (CID 121058587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).