1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol

C12H17NO3S — CID 55133087

IUPAC1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
SMILESCCc1ccc(S(=O)(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C12H17NO3S/c1-2-10-3-5-12(6-4-10)17(15,16)13-8-7-11(14)9-13/h3-6,11,14H,2,7-9H2,1H3
InChIKeyJFRUNQZRTBEFSQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.00
Rot. Bonds3

About 1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol

1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 55133087) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID55133087
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
SMILESCCc1ccc(S(=O)(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C12H17NO3S/c1-2-10-3-5-12(6-4-10)17(15,16)13-8-7-11(14)9-13/h3-6,11,14H,2,7-9H2,1H3
InChIKeyJFRUNQZRTBEFSQ-UHFFFAOYSA-N
XLogP1.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680539
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]acetonitrile
CID 79185826
N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide
CID 62917136
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol
CID 62917135
(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 107212087
1-(4-iodophenyl)sulfonylpyrrolidin-3-ol
CID 62918644
1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
CID 62917470

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol (CID 55133087) is 1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol is CCc1ccc(S(=O)(=O)N2CCC(O)C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is JFRUNQZRTBEFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-2-10-3-5-12(6-4-10)17(15,16)13-8-7-11(14)9-13/h3-6,11,14H,2,7-9H2,1H3.
What are the key properties of 1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol?
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 255.34 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 55133087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).