1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol

C13H20N2O3S — CID 103355133

IUPAC1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(C)(O)C2)c1N
InChIInChI=1S/C13H20N2O3S/c1-9-4-5-10(2)12(11(9)14)19(17,18)15-7-6-13(3,16)8-15/h4-5,16H,6-8,14H2,1-3H3
InChIKeyWYSOOQJGBRBYNF-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.03
Rot. Bonds2

About 1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol

1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol (PubChem CID 103355133) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol
PubChem CID103355133
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(C)(O)C2)c1N
InChIInChI=1S/C13H20N2O3S/c1-9-4-5-10(2)12(11(9)14)19(17,18)15-7-6-13(3,16)8-15/h4-5,16H,6-8,14H2,1-3H3
InChIKeyWYSOOQJGBRBYNF-UHFFFAOYSA-N
XLogP1.03
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3,6-dimethylphenyl)sulfonyl-4-methylazepan-4-ol
CID 107403545
1-(3-amino-4-methylphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103355073
4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol
CID 81097436
1-(2-amino-3,6-dimethylphenyl)sulfonyl-1,4-diazepan-5-one
CID 103171468
4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-2-methylbenzenecarbothioamide
CID 106920423
4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide
CID 103871349
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103770
1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81104027
1-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]sulfonyl-3-methylpyrrolidin-3-ol
CID 103357670
3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline
CID 103171753
1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096527
1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871361

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol (CID 103355133) is 1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol is Cc1ccc(C)c(S(=O)(=O)N2CCC(C)(O)C2)c1N.
What is the InChIKey of 1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol?
The InChIKey is WYSOOQJGBRBYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-4-5-10(2)12(11(9)14)19(17,18)15-7-6-13(3,16)8-15/h4-5,16H,6-8,14H2,1-3H3.
What are the key properties of 1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol?
1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol has a molecular weight of 284.38 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103355133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).