(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol

C11H15NO4S — CID 81258608

IUPAC(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
SMILESCOc1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C11H15NO4S/c1-16-10-3-2-4-11(7-10)17(14,15)12-6-5-9(13)8-12/h2-4,7,9,13H,5-6,8H2,1H3/t9-/m1/s1
InChIKeyVCYGENGUUXVRQY-SECBINFHSA-N
MW257.31 g/mol
LogP0.45
Rot. Bonds3

About (3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol

(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 81258608) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is (3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
PubChem CID81258608
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
SMILESCOc1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C11H15NO4S/c1-16-10-3-2-4-11(7-10)17(14,15)12-6-5-9(13)8-12/h2-4,7,9,13H,5-6,8H2,1H3/t9-/m1/s1
InChIKeyVCYGENGUUXVRQY-SECBINFHSA-N
XLogP0.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
1-(3-aminophenyl)sulfonylpyrrolidin-3-ol
CID 62917852
1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258512
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334
1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine
CID 131703854
(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol
CID 107225119
3-(3-hydroxypyrrolidin-1-yl)sulfonylbenzonitrile
CID 55132313
1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol
CID 55130191
1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616602
N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 76823868

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol (CID 81258608) is (3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol is COc1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1.
What is the InChIKey of (3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is VCYGENGUUXVRQY-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-16-10-3-2-4-11(7-10)17(14,15)12-6-5-9(13)8-12/h2-4,7,9,13H,5-6,8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol?
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 257.31 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 81258608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).