2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol

C13H20N2O3S — CID 104859249

IUPAC2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol
SMILESNc1ccccc1S(=O)(=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H20N2O3S/c14-12-5-1-2-6-13(12)19(17,18)15-8-3-4-11(10-15)7-9-16/h1-2,5-6,11,16H,3-4,7-10,14H2
InChIKeyBZGIGTYTQBCCHG-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.05
Rot. Bonds4

About 2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol

2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol (PubChem CID 104859249) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol
PubChem CID104859249
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol
SMILESNc1ccccc1S(=O)(=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H20N2O3S/c14-12-5-1-2-6-13(12)19(17,18)15-8-3-4-11(10-15)7-9-16/h1-2,5-6,11,16H,3-4,7-10,14H2
InChIKeyBZGIGTYTQBCCHG-UHFFFAOYSA-N
XLogP1.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.05
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

2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol
CID 107211960
2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 62358133
2-[1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 107211984
2-[(3R)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132831
2-[(3S)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132830
2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796780
1-(2-aminophenyl)sulfonylazepan-4-amine
CID 89315995
2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol
CID 107228635
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
CID 62357804
2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 62358135
2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796802

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol (CID 104859249) is 2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol is Nc1ccccc1S(=O)(=O)N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol?
The InChIKey is BZGIGTYTQBCCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c14-12-5-1-2-6-13(12)19(17,18)15-8-3-4-11(10-15)7-9-16/h1-2,5-6,11,16H,3-4,7-10,14H2.
What are the key properties of 2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol?
2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol has a molecular weight of 284.38 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol is sourced from PubChem (CID 104859249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).