1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol

C14H21NO4S — CID 115966431

IUPAC1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(C)O)C2)cc1
InChIInChI=1S/C14H21NO4S/c1-3-19-13-4-6-14(7-5-13)20(17,18)15-9-8-12(10-15)11(2)16/h4-7,11-12,16H,3,8-10H2,1-2H3
InChIKeyYNTHVJAEUPCAGG-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.48
Rot. Bonds5

About 1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol

1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol (PubChem CID 115966431) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol
PubChem CID115966431
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(C)O)C2)cc1
InChIInChI=1S/C14H21NO4S/c1-3-19-13-4-6-14(7-5-13)20(17,18)15-9-8-12(10-15)11(2)16/h4-7,11-12,16H,3,8-10H2,1-2H3
InChIKeyYNTHVJAEUPCAGG-UHFFFAOYSA-N
XLogP1.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-3-thiol
CID 88954947
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 112626701
1-[1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 112627675
3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]prop-2-yn-1-ol
CID 115966566
1-(4-ethoxyphenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 18082324
1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106672603
(3S,4S)-1-(4-ethoxyphenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135090575
1-[4-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]piperidin-1-yl]ethanone
CID 91921334
S-[(3S)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl] ethanethioate
CID 89169637
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103990794

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol (CID 115966431) is 1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol is CCOc1ccc(S(=O)(=O)N2CCC(C(C)O)C2)cc1.
What is the InChIKey of 1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol?
The InChIKey is YNTHVJAEUPCAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-3-19-13-4-6-14(7-5-13)20(17,18)15-9-8-12(10-15)11(2)16/h4-7,11-12,16H,3,8-10H2,1-2H3.
What are the key properties of 1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol?
1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol has a molecular weight of 299.39 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115966431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).