(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol

C12H17NO4S — CID 66291356

IUPAC(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
SMILESCCOc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C12H17NO4S/c1-2-17-11-3-5-12(6-4-11)18(15,16)13-8-7-10(14)9-13/h3-6,10,14H,2,7-9H2,1H3/t10-/m1/s1
InChIKeyOMEJMRQPSRELIF-SNVBAGLBSA-N
MW271.34 g/mol
LogP0.84
Rot. Bonds4

About (3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol

(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 66291356) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is (3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
PubChem CID66291356
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
SMILESCCOc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C12H17NO4S/c1-2-17-11-3-5-12(6-4-11)18(15,16)13-8-7-10(14)9-13/h3-6,10,14H,2,7-9H2,1H3/t10-/m1/s1
InChIKeyOMEJMRQPSRELIF-SNVBAGLBSA-N
XLogP0.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
CID 62917470
(3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol
CID 66291408
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-3-thiol
CID 88954947
1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106672603
(3S,4S)-1-(4-ethoxyphenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135090575
1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115966431
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
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
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol (CID 66291356) is (3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol is CCOc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1.
What is the InChIKey of (3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is OMEJMRQPSRELIF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-2-17-11-3-5-12(6-4-11)18(15,16)13-8-7-10(14)9-13/h3-6,10,14H,2,7-9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol?
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 271.34 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 66291356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).