2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine

C15H23N3O2S — CID 110096214

IUPAC2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine
SMILESO=S(=O)(N1CCCC1)N1CCCC(Cc2ccccn2)C1
InChIInChI=1S/C15H23N3O2S/c19-21(20,17-9-3-4-10-17)18-11-5-6-14(13-18)12-15-7-1-2-8-16-15/h1-2,7-8,14H,3-6,9-13H2
InChIKeyFRLKDYMDLWAWAZ-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.68
Rot. Bonds4

About 2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine

2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine (PubChem CID 110096214) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine
PubChem CID110096214
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine
SMILESO=S(=O)(N1CCCC1)N1CCCC(Cc2ccccn2)C1
InChIInChI=1S/C15H23N3O2S/c19-21(20,17-9-3-4-10-17)18-11-5-6-14(13-18)12-15-7-1-2-8-16-15/h1-2,7-8,14H,3-6,9-13H2
InChIKeyFRLKDYMDLWAWAZ-UHFFFAOYSA-N
XLogP1.68
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine 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

(6R)-1-cyclopentyl-6-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-1,4-diazepane
CID 95815409
1-cyclopentyl-6-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-1,4-diazepane
CID 110253314
2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine
CID 125004087
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 134017693
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
2-[2-[3-(chloromethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63397714
2-(cyclohexylmethyl)pyridine
CID 14762660
1-(pyridin-2-ylmethylsulfonyl)piperidin-3-amine
CID 71644242
N-[2-oxo-2-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110271111
2-[2-[3-(2-chloroethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63400545

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine?
The IUPAC name of 2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine (CID 110096214) is 2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine.
What is the SMILES notation for 2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine?
The canonical SMILES for 2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine is O=S(=O)(N1CCCC1)N1CCCC(Cc2ccccn2)C1.
What is the InChIKey of 2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine?
The InChIKey is FRLKDYMDLWAWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c19-21(20,17-9-3-4-10-17)18-11-5-6-14(13-18)12-15-7-1-2-8-16-15/h1-2,7-8,14H,3-6,9-13H2.
What are the key properties of 2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine?
2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine has a molecular weight of 309.43 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine is sourced from PubChem (CID 110096214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).