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

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Related Compounds

Osu-6162
CID 9795741
(R)-1-[2-(4'-Cyclopentanesulfonyl-biphenyl-4-yl)-ethyl]-2-methyl-pyrrolidine
CID 24897021
(R)-1-[2-(4'-Ethanesulfonyl-biphenyl-4-yl)-ethyl]-2-methyl-pyrrolidine
CID 24900017
(R)-2-Methyl-1-{2-[4'-(propane-1-sulfonyl)-biphenyl-4-yl]-ethyl}-pyrrolidine
CID 24900020
(R)-2-Methyl-1-[2-(4'-phenylmethanesulfonyl-biphenyl-4-yl)-ethyl]-pyrrolidine
CID 24900258
4-Benzenesulfonyl-1-[2-(2,4-difluoro-phenyl)-ethyl]-4-fluoro-piperidine
CID 44387746
4-Benzenesulfonyl-1-(3-phenyl-propyl)-piperidine
CID 10871642
4-Benzenesulfonyl-1-phenethyl-piperidine
CID 10991121
1-[3-[1-(Benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine
CID 21048761
1-[4-(Benzenesulfonyl)-4-methylpentyl]-3-phenylpiperidine
CID 21048816
(R)-1-(2-(4'-(Methoxymethylsulfonyl)biphenyl-4-yl)ethyl)-2-methylpyrrolidine
CID 24897684
(R)-1-[2-(4'-Methanesulfonyl-biphenyl-4-yl)-ethyl]-2-methyl-pyrrolidine
CID 24900016

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).