(3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol

C13H19NO5S — CID 66291408

IUPAC(3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol
SMILESCOCCOc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C13H19NO5S/c1-18-8-9-19-12-2-4-13(5-3-12)20(16,17)14-7-6-11(15)10-14/h2-5,11,15H,6-10H2,1H3/t11-/m1/s1
InChIKeyUFYXFLXSXKRYHI-LLVKDONJSA-N
MW301.36 g/mol
LogP0.47
Rot. Bonds6

About (3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol

(3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol (PubChem CID 66291408) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is (3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol
PubChem CID66291408
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name(3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol
SMILESCOCCOc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C13H19NO5S/c1-18-8-9-19-12-2-4-13(5-3-12)20(16,17)14-7-6-11(15)10-14/h2-5,11,15H,6-10H2,1H3/t11-/m1/s1
InChIKeyUFYXFLXSXKRYHI-LLVKDONJSA-N
XLogP0.47
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
CID 62917470
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715200
1-[1-[4-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978169
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779581
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid
CID 43503048
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
3-[4-(3-methylpyrrolidin-1-yl)sulfonylphenoxy]propanoic acid
CID 61224448
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714348
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371705
2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine
CID 103541412

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol (CID 66291408) is (3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol is COCCOc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1.
What is the InChIKey of (3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol?
The InChIKey is UFYXFLXSXKRYHI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-18-8-9-19-12-2-4-13(5-3-12)20(16,17)14-7-6-11(15)10-14/h2-5,11,15H,6-10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol?
(3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol has a molecular weight of 301.36 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 66291408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).