3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine

C14H20BrN3O2S — CID 63175235

IUPAC3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1cncc(Br)c1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H20BrN3O2S/c15-12-8-14(10-16-9-12)21(19,20)18-7-4-13(11-18)17-5-2-1-3-6-17/h8-10,13H,1-7,11H2
InChIKeyLQYFNYVMNQCOIN-UHFFFAOYSA-N
MW374.30 g/mol
LogP2.09
Rot. Bonds3

About 3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine

3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine (PubChem CID 63175235) has the molecular formula C14H20BrN3O2S and a molecular weight of 374.30 g/mol. Its IUPAC name is 3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine
PubChem CID63175235
Molecular FormulaC14H20BrN3O2S
Molecular Weight374.30 g/mol
Exact Mass373.05
IUPAC Name3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1cncc(Br)c1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H20BrN3O2S/c15-12-8-14(10-16-9-12)21(19,20)18-7-4-13(11-18)17-5-2-1-3-6-17/h8-10,13H,1-7,11H2
InChIKeyLQYFNYVMNQCOIN-UHFFFAOYSA-N
XLogP2.09
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridine
CID 64598277
1-[(5-bromo-3-pyridinyl)sulfonyl]-3-ethylpiperidin-4-amine
CID 81456896
2-bromo-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 115329305
1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 103697553
3-[(5-bromo-3-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370500
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006
2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine
CID 63169095
[4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol
CID 81218928
1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 62959424
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 61073342
3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine
CID 63397000
5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63174821

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine?
The IUPAC name of 3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine (CID 63175235) is 3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine?
The canonical SMILES for 3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine is O=S(=O)(c1cncc(Br)c1)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine?
The InChIKey is LQYFNYVMNQCOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2S/c15-12-8-14(10-16-9-12)21(19,20)18-7-4-13(11-18)17-5-2-1-3-6-17/h8-10,13H,1-7,11H2.
What are the key properties of 3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine?
3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine has a molecular weight of 374.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 63175235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).