3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine

C12H12BrN3O3S2 — CID 90638544

IUPAC3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C12H12BrN3O3S2/c13-10-3-4-12(20-10)21(17,18)16-7-5-9(8-16)19-11-2-1-6-14-15-11/h1-4,6,9H,5,7-8H2
InChIKeyYHXKJJFWZBMYQI-UHFFFAOYSA-N
MW390.28 g/mol
LogP2.14
Rot. Bonds4

About 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine

3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine (PubChem CID 90638544) has the molecular formula C12H12BrN3O3S2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
PubChem CID90638544
Molecular FormulaC12H12BrN3O3S2
Molecular Weight390.28 g/mol
Exact Mass388.95
IUPAC Name3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C12H12BrN3O3S2/c13-10-3-4-12(20-10)21(17,18)16-7-5-9(8-16)19-11-2-1-6-14-15-11/h1-4,6,9H,5,7-8H2
InChIKeyYHXKJJFWZBMYQI-UHFFFAOYSA-N
XLogP2.14
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine
CID 71799414
3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624540
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495330
3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624713
3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638533
3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638570
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638530
4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile
CID 91627303
3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638526
3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638513
3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629815
3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100625200

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The IUPAC name of 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine (CID 90638544) is 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine.
What is the SMILES notation for 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The canonical SMILES for 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine is O=S(=O)(c1ccc(Br)s1)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The InChIKey is YHXKJJFWZBMYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O3S2/c13-10-3-4-12(20-10)21(17,18)16-7-5-9(8-16)19-11-2-1-6-14-15-11/h1-4,6,9H,5,7-8H2.
What are the key properties of 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine?
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine has a molecular weight of 390.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine is sourced from PubChem (CID 90638544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).