2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide

C12H18N2O3S — CID 71989179

IUPAC2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC1CC(O)c1ccccc1
InChIInChI=1S/C12H18N2O3S/c13-18(16,17)14-8-4-7-11(14)9-12(15)10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H2,13,16,17)
InChIKeyHUQCJUVOFRIGGL-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.78
Rot. Bonds4

About 2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide

2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide (PubChem CID 71989179) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide
PubChem CID71989179
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC1CC(O)c1ccccc1
InChIInChI=1S/C12H18N2O3S/c13-18(16,17)14-8-4-7-11(14)9-12(15)10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H2,13,16,17)
InChIKeyHUQCJUVOFRIGGL-UHFFFAOYSA-N
XLogP0.78
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)ethanol
CID 71911232
3-amino-1-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125134386
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125118441
1-[1-(2-phenylpropylsulfonyl)pyrrolidin-2-yl]propan-2-ol
CID 80691435
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 111490219
[(2R)-2-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-(1-methylsulfonylcyclopropyl)methanone
CID 124734590
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide
CID 111490203
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol
CID 111490186
[4-(aminomethyl)phenyl]-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 125134428
ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11087069
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 111490245

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide (CID 71989179) is 2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide is NS(=O)(=O)N1CCCC1CC(O)c1ccccc1.
What is the InChIKey of 2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide?
The InChIKey is HUQCJUVOFRIGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-18(16,17)14-8-4-7-11(14)9-12(15)10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H2,13,16,17).
What are the key properties of 2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide?
2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 71989179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).