[(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol

C12H18N2O4S — CID 107212272

IUPAC[(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)c(N)c1
InChIInChI=1S/C12H18N2O4S/c1-18-10-4-5-12(11(13)7-10)19(16,17)14-6-2-3-9(14)8-15/h4-5,7,9,15H,2-3,6,8,13H2,1H3/t9-/m1/s1
InChIKeyNICXNTRJYZZKKD-SECBINFHSA-N
MW286.35 g/mol
LogP0.42
Rot. Bonds4

About [(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol

[(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 107212272) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is [(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID107212272
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name[(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)c(N)c1
InChIInChI=1S/C12H18N2O4S/c1-18-10-4-5-12(11(13)7-10)19(16,17)14-6-2-3-9(14)8-15/h4-5,7,9,15H,2-3,6,8,13H2,1H3/t9-/m1/s1
InChIKeyNICXNTRJYZZKKD-SECBINFHSA-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

5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052764
[(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212246
[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688201
[(2S)-1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212326
[(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212367
[(2S)-1-(2-bromo-5-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688419
[4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195535
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115413023
1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol
CID 107212187
[(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212258
[(2R)-1-(5-amino-2-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212229
(2-amino-5-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55138072

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol (CID 107212272) is [(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol is COc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)c(N)c1.
What is the InChIKey of [(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is NICXNTRJYZZKKD-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-18-10-4-5-12(11(13)7-10)19(16,17)14-6-2-3-9(14)8-15/h4-5,7,9,15H,2-3,6,8,13H2,1H3/t9-/m1/s1.
What are the key properties of [(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2R)-1-(2-amino-4-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 [(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 107212272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).