2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine

C16H24ClNO2S — CID 63389913

IUPAC2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine
SMILESCCCS(=O)(=O)c1ccccc1N1CCCC1CCCCl
InChIInChI=1S/C16H24ClNO2S/c1-2-13-21(19,20)16-10-4-3-9-15(16)18-12-6-8-14(18)7-5-11-17/h3-4,9-10,14H,2,5-8,11-13H2,1H3
InChIKeyCOVGKPNNQCKSPP-UHFFFAOYSA-N
MW329.89 g/mol
LogP3.86
Rot. Bonds7

About 2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine

2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine (PubChem CID 63389913) has the molecular formula C16H24ClNO2S and a molecular weight of 329.89 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine
PubChem CID63389913
Molecular FormulaC16H24ClNO2S
Molecular Weight329.89 g/mol
Exact Mass329.12
IUPAC Name2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine
SMILESCCCS(=O)(=O)c1ccccc1N1CCCC1CCCCl
InChIInChI=1S/C16H24ClNO2S/c1-2-13-21(19,20)16-10-4-3-9-15(16)18-12-6-8-14(18)7-5-11-17/h3-4,9-10,14H,2,5-8,11-13H2,1H3
InChIKeyCOVGKPNNQCKSPP-UHFFFAOYSA-N
XLogP3.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.89
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine?
The IUPAC name of 2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine (CID 63389913) is 2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine.
What is the SMILES notation for 2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine?
The canonical SMILES for 2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine is CCCS(=O)(=O)c1ccccc1N1CCCC1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine?
The InChIKey is COVGKPNNQCKSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2S/c1-2-13-21(19,20)16-10-4-3-9-15(16)18-12-6-8-14(18)7-5-11-17/h3-4,9-10,14H,2,5-8,11-13H2,1H3.
What are the key properties of 2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine?
2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine has a molecular weight of 329.89 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine is sourced from PubChem (CID 63389913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).