2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol

C14H22N2O3S — CID 114796802

IUPAC2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESCc1cc(N)c(S(=O)(=O)N2CCC(CCO)C2)cc1C
InChIInChI=1S/C14H22N2O3S/c1-10-7-13(15)14(8-11(10)2)20(18,19)16-5-3-12(9-16)4-6-17/h7-8,12,17H,3-6,9,15H2,1-2H3
InChIKeyDYSVTSGCYKBQEO-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.28
Rot. Bonds4

About 2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol

2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol (PubChem CID 114796802) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol
PubChem CID114796802
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESCc1cc(N)c(S(=O)(=O)N2CCC(CCO)C2)cc1C
InChIInChI=1S/C14H22N2O3S/c1-10-7-13(15)14(8-11(10)2)20(18,19)16-5-3-12(9-16)4-6-17/h7-8,12,17H,3-6,9,15H2,1-2H3
InChIKeyDYSVTSGCYKBQEO-UHFFFAOYSA-N
XLogP1.28
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.28
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-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43590112
2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796780
2-[1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 107211984
2-[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796776
2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol
CID 107211960
2-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 114796751
2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol
CID 104859249
2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol
CID 114799312
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796820
2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 62358135
3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 115690733

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol (CID 114796802) is 2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol is Cc1cc(N)c(S(=O)(=O)N2CCC(CCO)C2)cc1C.
What is the InChIKey of 2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol?
The InChIKey is DYSVTSGCYKBQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-7-13(15)14(8-11(10)2)20(18,19)16-5-3-12(9-16)4-6-17/h7-8,12,17H,3-6,9,15H2,1-2H3.
What are the key properties of 2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol?
2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol has a molecular weight of 298.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114796802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).