1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine

C20H25NO3S — CID 55923064

IUPAC1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCCN2CCCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H25NO3S/c1-24-18-9-5-8-17(16-18)20-12-6-13-21(20)14-7-15-25(22,23)19-10-3-2-4-11-19/h2-5,8-11,16,20H,6-7,12-15H2,1H3
InChIKeyUZKICPXDNIEAID-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.70
Rot. Bonds7

About 1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine

1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine (PubChem CID 55923064) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine
PubChem CID55923064
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCCN2CCCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H25NO3S/c1-24-18-9-5-8-17(16-18)20-12-6-13-21(20)14-7-15-25(22,23)19-10-3-2-4-11-19/h2-5,8-11,16,20H,6-7,12-15H2,1H3
InChIKeyUZKICPXDNIEAID-UHFFFAOYSA-N
XLogP3.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 94797205
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440
CID 174954168
CID 174954168
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
CID 45242464
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
phenyl 2-(2-phenylpyrrolidin-1-yl)ethanesulfonate
CID 22830017
N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide
CID 51313431

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine?
The IUPAC name of 1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine (CID 55923064) is 1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine?
The canonical SMILES for 1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine is COc1cccc(C2CCCN2CCCS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine?
The InChIKey is UZKICPXDNIEAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-24-18-9-5-8-17(16-18)20-12-6-13-21(20)14-7-15-25(22,23)19-10-3-2-4-11-19/h2-5,8-11,16,20H,6-7,12-15H2,1H3.
What are the key properties of 1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine?
1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine has a molecular weight of 359.49 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 55923064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).