2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol

C13H20N2O3S — CID 114797364

IUPAC2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
SMILESNCc1ccc(S(=O)(=O)N2CCC(CCO)C2)cc1
InChIInChI=1S/C13H20N2O3S/c14-9-11-1-3-13(4-2-11)19(17,18)15-7-5-12(10-15)6-8-16/h1-4,12,16H,5-10,14H2
InChIKeyGYVQVGQXUQZYNG-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.54
Rot. Bonds5

About 2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol

2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol (PubChem CID 114797364) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
PubChem CID114797364
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
SMILESNCc1ccc(S(=O)(=O)N2CCC(CCO)C2)cc1
InChIInChI=1S/C13H20N2O3S/c14-9-11-1-3-13(4-2-11)19(17,18)15-7-5-12(10-15)6-8-16/h1-4,12,16H,5-10,14H2
InChIKeyGYVQVGQXUQZYNG-UHFFFAOYSA-N
XLogP0.54
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[4-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-3-yl]ethanol
CID 114797376
2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227334
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol
CID 102956939
2-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 114796751
[4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 62204890
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
CID 62357804
2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796820
2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114798223
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 107227408
2-[1-(3-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 104626314

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol (CID 114797364) is 2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol is NCc1ccc(S(=O)(=O)N2CCC(CCO)C2)cc1.
What is the InChIKey of 2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol?
The InChIKey is GYVQVGQXUQZYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c14-9-11-1-3-13(4-2-11)19(17,18)15-7-5-12(10-15)6-8-16/h1-4,12,16H,5-10,14H2.
What are the key properties of 2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol?
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol has a molecular weight of 284.38 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114797364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).