4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine

C14H23N5O3S — CID 91969061

IUPAC4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine
SMILESCCS(=O)(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C14H23N5O3S/c1-2-23(20,21)19-5-3-17(4-6-19)13-11-14(16-15-12-13)18-7-9-22-10-8-18/h11-12H,2-10H2,1H3
InChIKeyQUMXTGFTHGTISW-UHFFFAOYSA-N
MW341.44 g/mol
LogP-0.22
Rot. Bonds4

About 4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine

4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine (PubChem CID 91969061) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine
PubChem CID91969061
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC Name4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine
SMILESCCS(=O)(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C14H23N5O3S/c1-2-23(20,21)19-5-3-17(4-6-19)13-11-14(16-15-12-13)18-7-9-22-10-8-18/h11-12H,2-10H2,1H3
InChIKeyQUMXTGFTHGTISW-UHFFFAOYSA-N
XLogP-0.22
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355503
4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968904
4-[5-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969049
4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968919
2-ethyl-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]butan-1-one
CID 122355568
4-[6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968916
4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969055
4-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355490
4-[5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969068
4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968933
4-[6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355504
4-[6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355511

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine?
The IUPAC name of 4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine (CID 91969061) is 4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine is CCS(=O)(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1.
What is the InChIKey of 4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine?
The InChIKey is QUMXTGFTHGTISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-2-23(20,21)19-5-3-17(4-6-19)13-11-14(16-15-12-13)18-7-9-22-10-8-18/h11-12H,2-10H2,1H3.
What are the key properties of 4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine?
4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine has a molecular weight of 341.44 g/mol, XLogP of -0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethylsulfonylpiperazin-1-yl)pyridazin-3-yl]morpholine is sourced from PubChem (CID 91969061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).