3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine

C14H21NO2S — CID 116925480

IUPAC3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine
SMILESCCS(=O)(=O)c1ccc(CCC2CCNC2)cc1
InChIInChI=1S/C14H21NO2S/c1-2-18(16,17)14-7-5-12(6-8-14)3-4-13-9-10-15-11-13/h5-8,13,15H,2-4,9-11H2,1H3
InChIKeyWATRVSLUEGDTAX-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.02
Rot. Bonds5

About 3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine

3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine (PubChem CID 116925480) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine
PubChem CID116925480
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine
SMILESCCS(=O)(=O)c1ccc(CCC2CCNC2)cc1
InChIInChI=1S/C14H21NO2S/c1-2-18(16,17)14-7-5-12(6-8-14)3-4-13-9-10-15-11-13/h5-8,13,15H,2-4,9-11H2,1H3
InChIKeyWATRVSLUEGDTAX-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(4-ethylsulfonylphenyl)ethyl]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

4-(2-pyrrolidin-3-ylethyl)benzoic acid;hydrochloride
CID 126844922
4-(2-pyrrolidin-3-ylethyl)pyridine
CID 83481928
4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride
CID 126845941
3-ethylsulfonyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977092
N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210731
N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine
CID 63300108
4-(2-piperidin-3-ylethyl)benzenethiol
CID 142937615
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
CID 116925514
3-[2-(4-methylsulfonylphenoxy)ethyl]pyrrolidine
CID 114796528
N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55136438
4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535038

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine?
The IUPAC name of 3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine (CID 116925480) is 3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine.
What is the SMILES notation for 3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine?
The canonical SMILES for 3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine is CCS(=O)(=O)c1ccc(CCC2CCNC2)cc1.
What is the InChIKey of 3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine?
The InChIKey is WATRVSLUEGDTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-18(16,17)14-7-5-12(6-8-14)3-4-13-9-10-15-11-13/h5-8,13,15H,2-4,9-11H2,1H3.
What are the key properties of 3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine?
3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine has a molecular weight of 267.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 116925480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).