1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol

C13H19NO4S — CID 55130191

IUPAC1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol
SMILESCOc1cc(C)c(S(=O)(=O)N2CCC(O)C2)c(C)c1
InChIInChI=1S/C13H19NO4S/c1-9-6-12(18-3)7-10(2)13(9)19(16,17)14-5-4-11(15)8-14/h6-7,11,15H,4-5,8H2,1-3H3
InChIKeyPUIVVXOSIDARIZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.07
Rot. Bonds3

About 1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol

1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 55130191) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID55130191
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol
SMILESCOc1cc(C)c(S(=O)(=O)N2CCC(O)C2)c(C)c1
InChIInChI=1S/C13H19NO4S/c1-9-6-12(18-3)7-10(2)13(9)19(16,17)14-5-4-11(15)8-14/h6-7,11,15H,4-5,8H2,1-3H3
InChIKeyPUIVVXOSIDARIZ-UHFFFAOYSA-N
XLogP1.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 47173276
1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978472
1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
CID 47173260
1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
CID 110708600
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
[4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81209194
1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
CID 91759163
4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol
CID 103896846
1-[2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethylsulfonyl]-4-(2-pyrrolidin-1-ylethyl)piperidine
CID 46204352
1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
CID 110708727
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
CID 75932086
1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 91604099

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol (CID 55130191) is 1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol is COc1cc(C)c(S(=O)(=O)N2CCC(O)C2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is PUIVVXOSIDARIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-9-6-12(18-3)7-10(2)13(9)19(16,17)14-5-4-11(15)8-14/h6-7,11,15H,4-5,8H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol?
1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 285.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 55130191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).