1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol

C15H23NO3S — CID 62124169

IUPAC1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol
SMILESCC(O)c1cccc(S(=O)(=O)N2CCCC(C)C2C)c1
InChIInChI=1S/C15H23NO3S/c1-11-6-5-9-16(12(11)2)20(18,19)15-8-4-7-14(10-15)13(3)17/h4,7-8,10-13,17H,5-6,9H2,1-3H3
InChIKeyBDEDJHLHLKKBKG-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.55
Rot. Bonds3

About 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol

1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol (PubChem CID 62124169) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol.

Molecular Properties

Compound Name1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol
PubChem CID62124169
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol
SMILESCC(O)c1cccc(S(=O)(=O)N2CCCC(C)C2C)c1
InChIInChI=1S/C15H23NO3S/c1-11-6-5-9-16(12(11)2)20(18,19)15-8-4-7-14(10-15)13(3)17/h4,7-8,10-13,17H,5-6,9H2,1-3H3
InChIKeyBDEDJHLHLKKBKG-UHFFFAOYSA-N
XLogP2.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol
CID 54882754
1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol
CID 62124171
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 54882423
1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 106672758
[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 97325791
3-(2,3-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 127890904
1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol
CID 104959833
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-iodobenzoic acid
CID 103962466
[1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 61409691
[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 55040179
N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine
CID 43506697
(2R,3R)-2-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122105350

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol?
The IUPAC name of 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol (CID 62124169) is 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol.
What is the SMILES notation for 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol?
The canonical SMILES for 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol is CC(O)c1cccc(S(=O)(=O)N2CCCC(C)C2C)c1.
What is the InChIKey of 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol?
The InChIKey is BDEDJHLHLKKBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11-6-5-9-16(12(11)2)20(18,19)15-8-4-7-14(10-15)13(3)17/h4,7-8,10-13,17H,5-6,9H2,1-3H3.
What are the key properties of 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol?
1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol has a molecular weight of 297.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol is sourced from PubChem (CID 62124169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).