1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine

C14H27N3O2S — CID 60977886

IUPAC1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine
SMILESO=S(=O)(N1CCCCC1)N1CCCC1C1CCNCC1
InChIInChI=1S/C14H27N3O2S/c18-20(19,16-10-2-1-3-11-16)17-12-4-5-14(17)13-6-8-15-9-7-13/h13-15H,1-12H2
InChIKeyWJSIGAXMGIPAIU-UHFFFAOYSA-N
MW301.46 g/mol
LogP1.18
Rot. Bonds3

About 1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine

1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine (PubChem CID 60977886) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine
PubChem CID60977886
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine
SMILESO=S(=O)(N1CCCCC1)N1CCCC1C1CCNCC1
InChIInChI=1S/C14H27N3O2S/c18-20(19,16-10-2-1-3-11-16)17-12-4-5-14(17)13-6-8-15-9-7-13/h13-15H,1-12H2
InChIKeyWJSIGAXMGIPAIU-UHFFFAOYSA-N
XLogP1.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine
CID 60978162
1-(azepan-1-ylsulfonyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 166246128
4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine
CID 60979368
1-(benzenesulfonyl)-2-piperidin-4-ylazepane
CID 54592723
(2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane
CID 95241513
4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine
CID 60978954
1-(2-methoxyethylsulfonyl)-2-piperidin-4-ylazepane
CID 64611469
2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one
CID 79539733
1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319979
3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine
CID 60977614
[(2R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]methanol
CID 79028725
4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine
CID 60979617

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine?
The IUPAC name of 1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine (CID 60977886) is 1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine?
The canonical SMILES for 1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine is O=S(=O)(N1CCCCC1)N1CCCC1C1CCNCC1.
What is the InChIKey of 1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine?
The InChIKey is WJSIGAXMGIPAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c18-20(19,16-10-2-1-3-11-16)17-12-4-5-14(17)13-6-8-15-9-7-13/h13-15H,1-12H2.
What are the key properties of 1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine?
1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine has a molecular weight of 301.46 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine is sourced from PubChem (CID 60977886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).