3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine

C19H27N5O2S2 — CID 122335925

IUPAC3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)s1
InChIInChI=1S/C19H27N5O2S2/c1-15-5-3-4-10-24(15)18-8-7-17(20-21-18)22-11-13-23(14-12-22)28(25,26)19-9-6-16(2)27-19/h6-9,15H,3-5,10-14H2,1-2H3
InChIKeyXKDITAUYOGWZBQ-UHFFFAOYSA-N
MW421.59 g/mol
LogP2.74
Rot. Bonds4

About 3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine

3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 122335925) has the molecular formula C19H27N5O2S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID122335925
Molecular FormulaC19H27N5O2S2
Molecular Weight421.59 g/mol
Exact Mass421.16
IUPAC Name3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)s1
InChIInChI=1S/C19H27N5O2S2/c1-15-5-3-4-10-24(15)18-8-7-17(20-21-18)22-11-13-23(14-12-22)28(25,26)19-9-6-16(2)27-19/h6-9,15H,3-5,10-14H2,1-2H3
InChIKeyXKDITAUYOGWZBQ-UHFFFAOYSA-N
XLogP2.74
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methylpiperidin-1-yl)-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121052879
3-(2-methylpiperidin-1-yl)-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 18584513
3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine
CID 121053202
3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121053184
1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053393
1-cyclopentyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110708935
1-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335073
3-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine
CID 121053208
1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 51182519
(3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053406
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 4729251
(3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335846

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine (CID 122335925) is 3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)s1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is XKDITAUYOGWZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S2/c1-15-5-3-4-10-24(15)18-8-7-17(20-21-18)22-11-13-23(14-12-22)28(25,26)19-9-6-16(2)27-19/h6-9,15H,3-5,10-14H2,1-2H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine?
3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 421.59 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 122335925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).