[(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol

C13H19NO3S — CID 95314907

IUPAC[(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(CCN1CCC[C@@H]1CO)c1ccccc1
InChIInChI=1S/C13H19NO3S/c15-11-12-5-4-8-14(12)9-10-18(16,17)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11H2/t12-/m1/s1
InChIKeyMEPKYPRIHPXIFJ-GFCCVEGCSA-N
MW269.37 g/mol
LogP0.92
Rot. Bonds5

About [(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol

[(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 95314907) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol
PubChem CID95314907
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name[(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(CCN1CCC[C@@H]1CO)c1ccccc1
InChIInChI=1S/C13H19NO3S/c15-11-12-5-4-8-14(12)9-10-18(16,17)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11H2/t12-/m1/s1
InChIKeyMEPKYPRIHPXIFJ-GFCCVEGCSA-N
XLogP0.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

((2S)-1-(benzenesulfonyl)pyrrolidin-2-yl)methanol
CID 15696145
[(2R)-1-[12-(benzenesulfonyl)dodecyl]pyrrolidin-2-yl]methanol
CID 168283712
12-(benzenesulfonyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]dodecan-2-one
CID 168287408
[(2R)-1-[10-(benzenesulfonyl)decyl]pyrrolidin-2-yl]methanol
CID 168297378
[(2R)-1-[14-(benzenesulfonyl)tetradecyl]pyrrolidin-2-yl]methanol
CID 168297665
[(2S)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol
CID 75467509
N-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine
CID 126800474
[1-(3-Fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 4990892
[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 39086676
[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79028203
Tert-butyl 2-[2-(benzenesulfonyl)-2-fluoro-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 174643878
[1-(4-Fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3722450

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol (CID 95314907) is [(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol is O=S(=O)(CCN1CCC[C@@H]1CO)c1ccccc1.
What is the InChIKey of [(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is MEPKYPRIHPXIFJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO3S/c15-11-12-5-4-8-14(12)9-10-18(16,17)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11H2/t12-/m1/s1.
What are the key properties of [(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 269.37 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 95314907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).