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

C15H24N2O3S — CID 107227828

IUPAC2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
SMILESCC(N)c1cccc(S(=O)(=O)N2CCCC(CCO)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-12(16)14-5-2-6-15(10-14)21(19,20)17-8-3-4-13(11-17)7-9-18/h2,5-6,10,12-13,18H,3-4,7-9,11,16H2,1H3
InChIKeyNLCYWRWHOUYWRT-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.49
Rot. Bonds5

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

2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol (PubChem CID 107227828) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
PubChem CID107227828
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
SMILESCC(N)c1cccc(S(=O)(=O)N2CCCC(CCO)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-12(16)14-5-2-6-15(10-14)21(19,20)17-8-3-4-13(11-17)7-9-18/h2,5-6,10,12-13,18H,3-4,7-9,11,16H2,1H3
InChIKeyNLCYWRWHOUYWRT-UHFFFAOYSA-N
XLogP1.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol
CID 114799335
1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 106836366
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol
CID 107228635
2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227335
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
CID 62357804
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 54882423
2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227334
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 107227408
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 115745003
2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol
CID 104859249
1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217564

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol (CID 107227828) is 2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol is CC(N)c1cccc(S(=O)(=O)N2CCCC(CCO)C2)c1.
What is the InChIKey of 2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol?
The InChIKey is NLCYWRWHOUYWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(16)14-5-2-6-15(10-14)21(19,20)17-8-3-4-13(11-17)7-9-18/h2,5-6,10,12-13,18H,3-4,7-9,11,16H2,1H3.
What are the key properties of 2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol?
2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol has a molecular weight of 312.44 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol is sourced from PubChem (CID 107227828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).