3-(1-propylsulfonylpyrrolidin-2-yl)piperidine

C12H24N2O2S — CID 54885851

IUPAC3-(1-propylsulfonylpyrrolidin-2-yl)piperidine
SMILESCCCS(=O)(=O)N1CCCC1C1CCCNC1
InChIInChI=1S/C12H24N2O2S/c1-2-9-17(15,16)14-8-4-6-12(14)11-5-3-7-13-10-11/h11-13H,2-10H2,1H3
InChIKeyNCGPVMSZDAUPDZ-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.19
Rot. Bonds4

About 3-(1-propylsulfonylpyrrolidin-2-yl)piperidine

3-(1-propylsulfonylpyrrolidin-2-yl)piperidine (PubChem CID 54885851) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 3-(1-propylsulfonylpyrrolidin-2-yl)piperidine.

Molecular Properties

Compound Name3-(1-propylsulfonylpyrrolidin-2-yl)piperidine
PubChem CID54885851
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name3-(1-propylsulfonylpyrrolidin-2-yl)piperidine
SMILESCCCS(=O)(=O)N1CCCC1C1CCCNC1
InChIInChI=1S/C12H24N2O2S/c1-2-9-17(15,16)14-8-4-6-12(14)11-5-3-7-13-10-11/h11-13H,2-10H2,1H3
InChIKeyNCGPVMSZDAUPDZ-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propylsulfonylpyrrolidin-2-yl)piperidine?
The IUPAC name of 3-(1-propylsulfonylpyrrolidin-2-yl)piperidine (CID 54885851) is 3-(1-propylsulfonylpyrrolidin-2-yl)piperidine.
What is the SMILES notation for 3-(1-propylsulfonylpyrrolidin-2-yl)piperidine?
The canonical SMILES for 3-(1-propylsulfonylpyrrolidin-2-yl)piperidine is CCCS(=O)(=O)N1CCCC1C1CCCNC1.
What is the InChIKey of 3-(1-propylsulfonylpyrrolidin-2-yl)piperidine?
The InChIKey is NCGPVMSZDAUPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-9-17(15,16)14-8-4-6-12(14)11-5-3-7-13-10-11/h11-13H,2-10H2,1H3.
What are the key properties of 3-(1-propylsulfonylpyrrolidin-2-yl)piperidine?
3-(1-propylsulfonylpyrrolidin-2-yl)piperidine has a molecular weight of 260.40 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propylsulfonylpyrrolidin-2-yl)piperidine is sourced from PubChem (CID 54885851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).