1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine

C16H19NO3S — CID 102562304

IUPAC1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine
SMILESCCS(=O)(=O)c1ccc(N2CCCC2c2ccco2)cc1
InChIInChI=1S/C16H19NO3S/c1-2-21(18,19)14-9-7-13(8-10-14)17-11-3-5-15(17)16-6-4-12-20-16/h4,6-10,12,15H,2-3,5,11H2,1H3
InChIKeyUZOPQGFMKTYROT-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.41
Rot. Bonds4

About 1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine

1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine (PubChem CID 102562304) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine
PubChem CID102562304
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine
SMILESCCS(=O)(=O)c1ccc(N2CCCC2c2ccco2)cc1
InChIInChI=1S/C16H19NO3S/c1-2-21(18,19)14-9-7-13(8-10-14)17-11-3-5-15(17)16-6-4-12-20-16/h4,6-10,12,15H,2-3,5,11H2,1H3
InChIKeyUZOPQGFMKTYROT-UHFFFAOYSA-N
XLogP3.41
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone
CID 95352268
(2S)-2-(furan-2-yl)-1-methylpyrrolidine
CID 24894514
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 20895730
3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 91837582
3-[2-(furan-2-yl)pyrrolidin-1-yl]-2-nitrobenzenesulfonamide
CID 86790963
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
(2R)-2-(furan-2-yl)-1-propylpiperidine
CID 124500851
2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid
CID 42575452
(3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine
CID 124865994

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine?
The IUPAC name of 1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine (CID 102562304) is 1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine.
What is the SMILES notation for 1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine?
The canonical SMILES for 1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine is CCS(=O)(=O)c1ccc(N2CCCC2c2ccco2)cc1.
What is the InChIKey of 1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine?
The InChIKey is UZOPQGFMKTYROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-2-21(18,19)14-9-7-13(8-10-14)17-11-3-5-15(17)16-6-4-12-20-16/h4,6-10,12,15H,2-3,5,11H2,1H3.
What are the key properties of 1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine?
1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine has a molecular weight of 305.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine is sourced from PubChem (CID 102562304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).