1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine

C23H29NO2S — CID 11326570

IUPAC1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine
SMILESO=S(=O)(c1ccccc1)C1(CCCN2CCC(c3ccccc3)C2)CCC1
InChIInChI=1S/C23H29NO2S/c25-27(26,22-11-5-2-6-12-22)23(14-7-15-23)16-8-17-24-18-13-21(19-24)20-9-3-1-4-10-20/h1-6,9-12,21H,7-8,13-19H2
InChIKeyPJRGVOUAMJUVDM-UHFFFAOYSA-N
MW383.56 g/mol
LogP4.65
Rot. Bonds7

About 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine

1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine (PubChem CID 11326570) has the molecular formula C23H29NO2S and a molecular weight of 383.56 g/mol. Its IUPAC name is 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine.

Molecular Properties

Compound Name1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine
PubChem CID11326570
Molecular FormulaC23H29NO2S
Molecular Weight383.56 g/mol
Exact Mass383.19
IUPAC Name1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine
SMILESO=S(=O)(c1ccccc1)C1(CCCN2CCC(c3ccccc3)C2)CCC1
InChIInChI=1S/C23H29NO2S/c25-27(26,22-11-5-2-6-12-22)23(14-7-15-23)16-8-17-24-18-13-21(19-24)20-9-3-1-4-10-20/h1-6,9-12,21H,7-8,13-19H2
InChIKeyPJRGVOUAMJUVDM-UHFFFAOYSA-N
XLogP4.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine?
The IUPAC name of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine (CID 11326570) is 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine.
What is the SMILES notation for 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine?
The canonical SMILES for 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine is O=S(=O)(c1ccccc1)C1(CCCN2CCC(c3ccccc3)C2)CCC1.
What is the InChIKey of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine?
The InChIKey is PJRGVOUAMJUVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2S/c25-27(26,22-11-5-2-6-12-22)23(14-7-15-23)16-8-17-24-18-13-21(19-24)20-9-3-1-4-10-20/h1-6,9-12,21H,7-8,13-19H2.
What are the key properties of 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine?
1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine has a molecular weight of 383.56 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine is sourced from PubChem (CID 11326570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).