1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol

C12H17NO2S — CID 170587785

IUPAC1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol
SMILESCC(O)C1CCCN1S(=O)c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-10(14)12-8-5-9-13(12)16(15)11-6-3-2-4-7-11/h2-4,6-7,10,12,14H,5,8-9H2,1H3
InChIKeyPHCLBFPGOMYMTH-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.55
Rot. Bonds3

About 1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol

1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol (PubChem CID 170587785) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol
PubChem CID170587785
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol
SMILESCC(O)C1CCCN1S(=O)c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-10(14)12-8-5-9-13(12)16(15)11-6-3-2-4-7-11/h2-4,6-7,10,12,14H,5,8-9H2,1H3
InChIKeyPHCLBFPGOMYMTH-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol 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

2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]benzoic acid
CID 121201742
1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 143288729
1-(benzenesulfinyl)-3-fluoropiperidine
CID 68779902
(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
CID 155904197
(2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine
CID 122388943
2-benzhydryl-1-methylpyrrolidine
CID 71178925
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
1-(1-phenylpiperazin-2-yl)ethanol
CID 70356757
(3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine
CID 102227667
1-(1-fluoropyrrolidin-2-yl)ethanol
CID 172818721
1-(benzenesulfinyl)azetidin-3-ol
CID 131137863
(2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine
CID 11242184

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol (CID 170587785) is 1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol is CC(O)C1CCCN1S(=O)c1ccccc1.
What is the InChIKey of 1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol?
The InChIKey is PHCLBFPGOMYMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10(14)12-8-5-9-13(12)16(15)11-6-3-2-4-7-11/h2-4,6-7,10,12,14H,5,8-9H2,1H3.
What are the key properties of 1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol?
1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol has a molecular weight of 239.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 170587785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).