3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide

C13H24N2O2S — CID 66272792

IUPAC3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCCC2C2CCCNC2)C1
InChIInChI=1S/C13H24N2O2S/c16-18(17)8-5-12(10-18)15-7-2-4-13(15)11-3-1-6-14-9-11/h11-14H,1-10H2
InChIKeyJMZVMLSENITISC-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.64
Rot. Bonds2

About 3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide

3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide (PubChem CID 66272792) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide
PubChem CID66272792
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCCC2C2CCCNC2)C1
InChIInChI=1S/C13H24N2O2S/c16-18(17)8-5-12(10-18)15-7-2-4-13(15)11-3-1-6-14-9-11/h11-14H,1-10H2
InChIKeyJMZVMLSENITISC-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide (CID 66272792) is 3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(N2CCCC2C2CCCNC2)C1.
What is the InChIKey of 3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide?
The InChIKey is JMZVMLSENITISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c16-18(17)8-5-12(10-18)15-7-2-4-13(15)11-3-1-6-14-9-11/h11-14H,1-10H2.
What are the key properties of 3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide?
3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide has a molecular weight of 272.41 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 66272792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).