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

C15H24N2O3S — CID 106836366

IUPAC1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
SMILESCC(N)c1cccc(S(=O)(=O)N2CCC(C(C)O)CC2)c1
InChIInChI=1S/C15H24N2O3S/c1-11(16)14-4-3-5-15(10-14)21(19,20)17-8-6-13(7-9-17)12(2)18/h3-5,10-13,18H,6-9,16H2,1-2H3
InChIKeyXROZZWYEJXICBW-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.49
Rot. Bonds4

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

1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol (PubChem CID 106836366) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
PubChem CID106836366
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
SMILESCC(N)c1cccc(S(=O)(=O)N2CCC(C(C)O)CC2)c1
InChIInChI=1S/C15H24N2O3S/c1-11(16)14-4-3-5-15(10-14)21(19,20)17-8-6-13(7-9-17)12(2)18/h3-5,10-13,18H,6-9,16H2,1-2H3
InChIKeyXROZZWYEJXICBW-UHFFFAOYSA-N
XLogP1.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217564
1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974927
3-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 106835672
1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43585548
2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227828
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834597
1-[1-[(6-amino-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
CID 106835157
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 54882423
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834649
1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine
CID 60873787
4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one
CID 43106971
1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol
CID 62944000

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol (CID 106836366) is 1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol is CC(N)c1cccc(S(=O)(=O)N2CCC(C(C)O)CC2)c1.
What is the InChIKey of 1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol?
The InChIKey is XROZZWYEJXICBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(16)14-4-3-5-15(10-14)21(19,20)17-8-6-13(7-9-17)12(2)18/h3-5,10-13,18H,6-9,16H2,1-2H3.
What are the key properties of 1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol?
1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol has a molecular weight of 312.44 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol is sourced from PubChem (CID 106836366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).