3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine

C13H14BrN3O3S2 — CID 71799414

IUPAC3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C13H14BrN3O3S2/c14-11-3-4-13(21-11)22(18,19)17-8-5-10(6-9-17)20-12-2-1-7-15-16-12/h1-4,7,10H,5-6,8-9H2
InChIKeyOUHXNPWDTJKMBY-UHFFFAOYSA-N
MW404.31 g/mol
LogP2.53
Rot. Bonds4

About 3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine

3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine (PubChem CID 71799414) has the molecular formula C13H14BrN3O3S2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine.

Molecular Properties

Compound Name3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine
PubChem CID71799414
Molecular FormulaC13H14BrN3O3S2
Molecular Weight404.31 g/mol
Exact Mass402.97
IUPAC Name3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C13H14BrN3O3S2/c14-11-3-4-13(21-11)22(18,19)17-8-5-10(6-9-17)20-12-2-1-7-15-16-12/h1-4,7,10H,5-6,8-9H2
InChIKeyOUHXNPWDTJKMBY-UHFFFAOYSA-N
XLogP2.53
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495330
methyl 4-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylbenzoate
CID 71799416
3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624713
3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638533
3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine
CID 90559434
3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638570
4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
CID 80669253
2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline
CID 90559428
1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde
CID 63844505
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine?
The IUPAC name of 3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine (CID 71799414) is 3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine.
What is the SMILES notation for 3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine?
The canonical SMILES for 3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine is O=S(=O)(c1ccc(Br)s1)N1CCC(Oc2cccnn2)CC1.
What is the InChIKey of 3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine?
The InChIKey is OUHXNPWDTJKMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3S2/c14-11-3-4-13(21-11)22(18,19)17-8-5-10(6-9-17)20-12-2-1-7-15-16-12/h1-4,7,10H,5-6,8-9H2.
What are the key properties of 3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine?
3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine has a molecular weight of 404.31 g/mol, XLogP of 2.53, 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)sulfonylpiperidin-4-yl]oxypyridazine is sourced from PubChem (CID 71799414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).