1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol

C14H22N2O3S — CID 61435532

IUPAC1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol
SMILESCCNCc1ccc(S(=O)(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-15-10-12-5-7-14(8-6-12)20(18,19)16-9-3-4-13(17)11-16/h5-8,13,15,17H,2-4,9-11H2,1H3
InChIKeyJCKJDLYUHBXSOO-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.94
Rot. Bonds5

About 1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol

1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol (PubChem CID 61435532) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol
PubChem CID61435532
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol
SMILESCCNCc1ccc(S(=O)(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-15-10-12-5-7-14(8-6-12)20(18,19)16-9-3-4-13(17)11-16/h5-8,13,15,17H,2-4,9-11H2,1H3
InChIKeyJCKJDLYUHBXSOO-UHFFFAOYSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol
CID 61435583
N-[[4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 61227035
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 79180625
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzaldehyde
CID 155923738
4-(3-hydroxypiperidin-1-yl)sulfonylbenzaldehyde
CID 146636211
N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide
CID 62917136
(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
CID 71654100
N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 60974926
(3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol
CID 166824771
4-(3-hydroxypiperidin-1-yl)sulfonylbenzonitrile
CID 43394264

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol?
The IUPAC name of 1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol (CID 61435532) is 1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol?
The canonical SMILES for 1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol is CCNCc1ccc(S(=O)(=O)N2CCCC(O)C2)cc1.
What is the InChIKey of 1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol?
The InChIKey is JCKJDLYUHBXSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-15-10-12-5-7-14(8-6-12)20(18,19)16-9-3-4-13(17)11-16/h5-8,13,15,17H,2-4,9-11H2,1H3.
What are the key properties of 1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol?
1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol has a molecular weight of 298.41 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol is sourced from PubChem (CID 61435532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).