3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine

C11H17N3O3S — CID 90638533

IUPAC3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine
SMILESCC(C)S(=O)(=O)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C11H17N3O3S/c1-9(2)18(15,16)14-7-5-10(8-14)17-11-4-3-6-12-13-11/h3-4,6,9-10H,5,7-8H2,1-2H3
InChIKeyQLTVIZVUAATEPF-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.67
Rot. Bonds4

About 3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine

3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine (PubChem CID 90638533) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine.

Molecular Properties

Compound Name3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine
PubChem CID90638533
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine
SMILESCC(C)S(=O)(=O)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C11H17N3O3S/c1-9(2)18(15,16)14-7-5-10(8-14)17-11-4-3-6-12-13-11/h3-4,6,9-10H,5,7-8H2,1-2H3
InChIKeyQLTVIZVUAATEPF-UHFFFAOYSA-N
XLogP0.67
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624713
3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638570
3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100625200
3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638513
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
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638530
4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine
CID 121017469
3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638526
4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile
CID 91627303
N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638477
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine?
The IUPAC name of 3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine (CID 90638533) is 3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine.
What is the SMILES notation for 3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine?
The canonical SMILES for 3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine is CC(C)S(=O)(=O)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of 3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine?
The InChIKey is QLTVIZVUAATEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-9(2)18(15,16)14-7-5-10(8-14)17-11-4-3-6-12-13-11/h3-4,6,9-10H,5,7-8H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine?
3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine has a molecular weight of 271.34 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine is sourced from PubChem (CID 90638533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).