3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine

C14H21N3O2S — CID 60977763

IUPAC3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H21N3O2S/c18-20(19,13-5-1-7-15-10-13)17-9-3-4-12(11-17)14-6-2-8-16-14/h1,5,7,10,12,14,16H,2-4,6,8-9,11H2
InChIKeyMTBPHWSCMISFGE-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.23
Rot. Bonds3

About 3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine

3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine (PubChem CID 60977763) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine
PubChem CID60977763
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H21N3O2S/c18-20(19,13-5-1-7-15-10-13)17-9-3-4-12(11-17)14-6-2-8-16-14/h1,5,7,10,12,14,16H,2-4,6,8-9,11H2
InChIKeyMTBPHWSCMISFGE-UHFFFAOYSA-N
XLogP1.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine 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

1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566
3-(3-isocyanatopiperidin-1-yl)sulfonylpyridine
CID 24706355
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
3-pyridin-3-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 114289950
2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine
CID 125024782
1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine
CID 66195772
6-[(5-fluoro-3-pyridinyl)sulfonyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680929
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265
N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63879976

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine?
The IUPAC name of 3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine (CID 60977763) is 3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine?
The canonical SMILES for 3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine is O=S(=O)(c1cccnc1)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine?
The InChIKey is MTBPHWSCMISFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c18-20(19,13-5-1-7-15-10-13)17-9-3-4-12(11-17)14-6-2-8-16-14/h1,5,7,10,12,14,16H,2-4,6,8-9,11H2.
What are the key properties of 3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine?
3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine has a molecular weight of 295.41 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 60977763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).