[(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol

C12H18N2O4S — CID 107212367

IUPAC[(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCOc1ccc(N)cc1S(=O)(=O)N1CCC[C@H]1CO
InChIInChI=1S/C12H18N2O4S/c1-18-11-5-4-9(13)7-12(11)19(16,17)14-6-2-3-10(14)8-15/h4-5,7,10,15H,2-3,6,8,13H2,1H3/t10-/m0/s1
InChIKeyICRKFQAEWKPJIL-JTQLQIEISA-N
MW286.35 g/mol
LogP0.42
Rot. Bonds4

About [(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol

[(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 107212367) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is [(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID107212367
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name[(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCOc1ccc(N)cc1S(=O)(=O)N1CCC[C@H]1CO
InChIInChI=1S/C12H18N2O4S/c1-18-11-5-4-9(13)7-12(11)19(16,17)14-6-2-3-10(14)8-15/h4-5,7,10,15H,2-3,6,8,13H2,1H3/t10-/m0/s1
InChIKeyICRKFQAEWKPJIL-JTQLQIEISA-N
XLogP0.42
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83053094
3-(2-ethylazepan-1-yl)sulfonyl-4-methoxyaniline
CID 104688731
[(2R)-1-(5-amino-2-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212229
[(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212272
5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-2-methoxybenzoic acid
CID 107215310
[(2S)-1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212326
[(2R)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212249
[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 65020971
[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 70140500
(3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 107213240
methyl (2S)-1-(4-amino-2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 135144235
3-[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62467903

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol (CID 107212367) is [(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol is COc1ccc(N)cc1S(=O)(=O)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is ICRKFQAEWKPJIL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-18-11-5-4-9(13)7-12(11)19(16,17)14-6-2-3-10(14)8-15/h4-5,7,10,15H,2-3,6,8,13H2,1H3/t10-/m0/s1.
What are the key properties of [(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 286.35 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 107212367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).