1-[3-[(4R)-4-propylpyrrolidin-3-yl]sulfonylpropyl]piperidine

C15H30N2O2S — CID 57196975

IUPAC1-[3-[(4R)-4-propylpyrrolidin-3-yl]sulfonylpropyl]piperidine
SMILESCCC[C@@H]1CNCC1S(=O)(=O)CCCN1CCCCC1
InChIInChI=1S/C15H30N2O2S/c1-2-7-14-12-16-13-15(14)20(18,19)11-6-10-17-8-4-3-5-9-17/h14-16H,2-13H2,1H3/t14-,15?/m1/s1
InChIKeyOYKYIBMPRBIYJQ-GICMACPYSA-N
MW302.48 g/mol
LogP1.67
Rot. Bonds7

About 1-[3-[(4R)-4-propylpyrrolidin-3-yl]sulfonylpropyl]piperidine

1-[3-[(4R)-4-propylpyrrolidin-3-yl]sulfonylpropyl]piperidine (PubChem CID 57196975) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 1-[3-[(4R)-4-propylpyrrolidin-3-yl]sulfonylpropyl]piperidine.

Molecular Properties

Compound Name1-[3-[(4R)-4-propylpyrrolidin-3-yl]sulfonylpropyl]piperidine
PubChem CID57196975
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name1-[3-[(4R)-4-propylpyrrolidin-3-yl]sulfonylpropyl]piperidine
SMILESCCC[C@@H]1CNCC1S(=O)(=O)CCCN1CCCCC1
InChIInChI=1S/C15H30N2O2S/c1-2-7-14-12-16-13-15(14)20(18,19)11-6-10-17-8-4-3-5-9-17/h14-16H,2-13H2,1H3/t14-,15?/m1/s1
InChIKeyOYKYIBMPRBIYJQ-GICMACPYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4R)-4-propylpyrrolidin-3-yl]sulfonylpropyl]piperidine?
The IUPAC name of 1-[3-[(4R)-4-propylpyrrolidin-3-yl]sulfonylpropyl]piperidine (CID 57196975) is 1-[3-[(4R)-4-propylpyrrolidin-3-yl]sulfonylpropyl]piperidine.
What is the SMILES notation for 1-[3-[(4R)-4-propylpyrrolidin-3-yl]sulfonylpropyl]piperidine?
The canonical SMILES for 1-[3-[(4R)-4-propylpyrrolidin-3-yl]sulfonylpropyl]piperidine is CCC[C@@H]1CNCC1S(=O)(=O)CCCN1CCCCC1.
What is the InChIKey of 1-[3-[(4R)-4-propylpyrrolidin-3-yl]sulfonylpropyl]piperidine?
The InChIKey is OYKYIBMPRBIYJQ-GICMACPYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-2-7-14-12-16-13-15(14)20(18,19)11-6-10-17-8-4-3-5-9-17/h14-16H,2-13H2,1H3/t14-,15?/m1/s1.
What are the key properties of 1-[3-[(4R)-4-propylpyrrolidin-3-yl]sulfonylpropyl]piperidine?
1-[3-[(4R)-4-propylpyrrolidin-3-yl]sulfonylpropyl]piperidine has a molecular weight of 302.48 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4R)-4-propylpyrrolidin-3-yl]sulfonylpropyl]piperidine is sourced from PubChem (CID 57196975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).