2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol

C15H24N2O3S — CID 107227334

IUPAC2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
SMILESNCCc1ccc(S(=O)(=O)N2CCCC(CCO)C2)cc1
InChIInChI=1S/C15H24N2O3S/c16-9-7-13-3-5-15(6-4-13)21(19,20)17-10-1-2-14(12-17)8-11-18/h3-6,14,18H,1-2,7-12,16H2
InChIKeyXNUXWQDBMBGUBJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.97
Rot. Bonds6

About 2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol

2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol (PubChem CID 107227334) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
PubChem CID107227334
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
SMILESNCCc1ccc(S(=O)(=O)N2CCCC(CCO)C2)cc1
InChIInChI=1S/C15H24N2O3S/c16-9-7-13-3-5-15(6-4-13)21(19,20)17-10-1-2-14(12-17)8-11-18/h3-6,14,18H,1-2,7-12,16H2
InChIKeyXNUXWQDBMBGUBJ-UHFFFAOYSA-N
XLogP0.97
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
CID 62357804
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 107227408
[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
CID 43590128
2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227335
2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride
CID 53229799
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol
CID 107228635
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide
CID 43589644

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol (CID 107227334) is 2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol is NCCc1ccc(S(=O)(=O)N2CCCC(CCO)C2)cc1.
What is the InChIKey of 2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol?
The InChIKey is XNUXWQDBMBGUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c16-9-7-13-3-5-15(6-4-13)21(19,20)17-10-1-2-14(12-17)8-11-18/h3-6,14,18H,1-2,7-12,16H2.
What are the key properties of 2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol?
2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol has a molecular weight of 312.44 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol is sourced from PubChem (CID 107227334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).