1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione

C15H20N4O5S — CID 90638515

IUPAC1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C15H20N4O5S/c20-14-4-1-5-15(21)19(14)9-10-25(22,23)18-8-6-12(11-18)24-13-3-2-7-16-17-13/h2-3,7,12H,1,4-6,8-11H2
InChIKeySBAMUKCSHRXTSG-UHFFFAOYSA-N
MW368.42 g/mol
LogP-0.20
Rot. Bonds6

About 1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione

1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione (PubChem CID 90638515) has the molecular formula C15H20N4O5S and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione
PubChem CID90638515
Molecular FormulaC15H20N4O5S
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Name1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C15H20N4O5S/c20-14-4-1-5-15(21)19(14)9-10-25(22,23)18-8-6-12(11-18)24-13-3-2-7-16-17-13/h2-3,7,12H,1,4-6,8-11H2
InChIKeySBAMUKCSHRXTSG-UHFFFAOYSA-N
XLogP-0.20
TPSA109.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(3R)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 100739140
1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 119100362
3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638513
3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638570
3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624713
3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638533
1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 122260579
1-[2-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 122250144
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638530
3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638526
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638544
3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624540

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione (CID 90638515) is 1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of 1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione?
The InChIKey is SBAMUKCSHRXTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S/c20-14-4-1-5-15(21)19(14)9-10-25(22,23)18-8-6-12(11-18)24-13-3-2-7-16-17-13/h2-3,7,12H,1,4-6,8-11H2.
What are the key properties of 1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione?
1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione has a molecular weight of 368.42 g/mol, XLogP of -0.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione is sourced from PubChem (CID 90638515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).