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

C13H13BrN2O3S2 — CID 75495330

IUPAC3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C13H13BrN2O3S2/c14-12-3-4-13(20-12)21(17,18)16-7-5-11(9-16)19-10-2-1-6-15-8-10/h1-4,6,8,11H,5,7,9H2
InChIKeyMEOKFFOUSQTXHR-UHFFFAOYSA-N
MW389.30 g/mol
LogP2.75
Rot. Bonds4

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

3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine (PubChem CID 75495330) has the molecular formula C13H13BrN2O3S2 and a molecular weight of 389.30 g/mol. Its IUPAC name is 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine
PubChem CID75495330
Molecular FormulaC13H13BrN2O3S2
Molecular Weight389.30 g/mol
Exact Mass387.96
IUPAC Name3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C13H13BrN2O3S2/c14-12-3-4-13(20-12)21(17,18)16-7-5-11(9-16)19-10-2-1-6-15-8-10/h1-4,6,8,11H,5,7,9H2
InChIKeyMEOKFFOUSQTXHR-UHFFFAOYSA-N
XLogP2.75
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638544
3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495315
3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridazine
CID 71799414
3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129381835
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636381
4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylmorpholine
CID 75495327
3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862
3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine
CID 129325414
7-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-3,4-dihydro-2H-isoquinolin-1-one
CID 128998759
1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 75495313
1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine
CID 115872296
3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 128970089

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
The IUPAC name of 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine (CID 75495330) is 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine is O=S(=O)(c1ccc(Br)s1)N1CCC(Oc2cccnc2)C1.
What is the InChIKey of 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
The InChIKey is MEOKFFOUSQTXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S2/c14-12-3-4-13(20-12)21(17,18)16-7-5-11(9-16)19-10-2-1-6-15-8-10/h1-4,6,8,11H,5,7,9H2.
What are the key properties of 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine has a molecular weight of 389.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 75495330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).