4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine

C11H22N2O2S — CID 60979368

IUPAC4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine
SMILESCCS(=O)(=O)N1CCCC1C1CCNCC1
InChIInChI=1S/C11H22N2O2S/c1-2-16(14,15)13-9-3-4-11(13)10-5-7-12-8-6-10/h10-12H,2-9H2,1H3
InChIKeyQAYQNNHLJSKPOY-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.80
Rot. Bonds3

About 4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine

4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine (PubChem CID 60979368) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine.

Molecular Properties

Compound Name4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine
PubChem CID60979368
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine
SMILESCCS(=O)(=O)N1CCCC1C1CCNCC1
InChIInChI=1S/C11H22N2O2S/c1-2-16(14,15)13-9-3-4-11(13)10-5-7-12-8-6-10/h10-12H,2-9H2,1H3
InChIKeyQAYQNNHLJSKPOY-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-ethylsulfonylpyrrolidine
CID 110871924
1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319979
1-(2-methoxyethylsulfonyl)-2-piperidin-4-ylazepane
CID 64611469
1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine
CID 60977886
1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60580514
2-cyclohexyl-1-propylsulfonylpyrrolidine
CID 61384313
4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine
CID 60978954
4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine
CID 60979617
1-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320272
2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol
CID 79549347
1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane
CID 64852031
2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one
CID 79546272

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine?
The IUPAC name of 4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine (CID 60979368) is 4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine.
What is the SMILES notation for 4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine?
The canonical SMILES for 4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine is CCS(=O)(=O)N1CCCC1C1CCNCC1.
What is the InChIKey of 4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine?
The InChIKey is QAYQNNHLJSKPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-2-16(14,15)13-9-3-4-11(13)10-5-7-12-8-6-10/h10-12H,2-9H2,1H3.
What are the key properties of 4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine?
4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine has a molecular weight of 246.38 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine is sourced from PubChem (CID 60979368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).