1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine

C18H23NO2S2 — CID 126447651

IUPAC1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine
SMILESCCS(=O)(=O)c1ccc(-c2ccc([C@@H](C)N3CCCC3)cc2)s1
InChIInChI=1S/C18H23NO2S2/c1-3-23(20,21)18-11-10-17(22-18)16-8-6-15(7-9-16)14(2)19-12-4-5-13-19/h6-11,14H,3-5,12-13H2,1-2H3/t14-/m1/s1
InChIKeyIOVORRUBBXYYDH-CQSZACIVSA-N
MW349.52 g/mol
LogP4.37
Rot. Bonds5

About 1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine

1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine (PubChem CID 126447651) has the molecular formula C18H23NO2S2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine
PubChem CID126447651
Molecular FormulaC18H23NO2S2
Molecular Weight349.52 g/mol
Exact Mass349.12
IUPAC Name1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine
SMILESCCS(=O)(=O)c1ccc(-c2ccc([C@@H](C)N3CCCC3)cc2)s1
InChIInChI=1S/C18H23NO2S2/c1-3-23(20,21)18-11-10-17(22-18)16-8-6-15(7-9-16)14(2)19-12-4-5-13-19/h6-11,14H,3-5,12-13H2,1-2H3/t14-/m1/s1
InChIKeyIOVORRUBBXYYDH-CQSZACIVSA-N
XLogP4.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine?
The IUPAC name of 1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine (CID 126447651) is 1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine.
What is the SMILES notation for 1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine?
The canonical SMILES for 1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine is CCS(=O)(=O)c1ccc(-c2ccc([C@@H](C)N3CCCC3)cc2)s1.
What is the InChIKey of 1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine?
The InChIKey is IOVORRUBBXYYDH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23NO2S2/c1-3-23(20,21)18-11-10-17(22-18)16-8-6-15(7-9-16)14(2)19-12-4-5-13-19/h6-11,14H,3-5,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine?
1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine has a molecular weight of 349.52 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine is sourced from PubChem (CID 126447651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).