4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine

C21H29N5O3S — CID 26843191

IUPAC4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c(C)c1
InChIInChI=1S/C21H29N5O3S/c1-16-14-17(2)21(18(3)15-16)30(27,28)26-8-6-24(7-9-26)19-4-5-20(23-22-19)25-10-12-29-13-11-25/h4-5,14-15H,6-13H2,1-3H3
InChIKeyYWPXYZWJJRMUCJ-UHFFFAOYSA-N
MW431.56 g/mol
LogP1.75
Rot. Bonds4

About 4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine

4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine (PubChem CID 26843191) has the molecular formula C21H29N5O3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
PubChem CID26843191
Molecular FormulaC21H29N5O3S
Molecular Weight431.56 g/mol
Exact Mass431.20
IUPAC Name4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c(C)c1
InChIInChI=1S/C21H29N5O3S/c1-16-14-17(2)21(18(3)15-16)30(27,28)26-8-6-24(7-9-26)19-4-5-20(23-22-19)25-10-12-29-13-11-25/h4-5,14-15H,6-13H2,1-3H3
InChIKeyYWPXYZWJJRMUCJ-UHFFFAOYSA-N
XLogP1.75
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335366
N-(4-methylphenyl)-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 26843158
N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 44827469
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 121053132
4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335405
4-methoxy-2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121035183
4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 155981001
2-pyrrolidin-1-yl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 122343717
4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 44826823
3,5-dimethyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 121053065
3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 7287711

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine (CID 26843191) is 4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine is Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c(C)c1.
What is the InChIKey of 4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The InChIKey is YWPXYZWJJRMUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3S/c1-16-14-17(2)21(18(3)15-16)30(27,28)26-8-6-24(7-9-26)19-4-5-20(23-22-19)25-10-12-29-13-11-25/h4-5,14-15H,6-13H2,1-3H3.
What are the key properties of 4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine has a molecular weight of 431.56 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 26843191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).