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

C14H21NO3S — CID 55064427

IUPAC2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2CCCC(CCO)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-12-4-6-14(7-5-12)19(17,18)15-9-2-3-13(11-15)8-10-16/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyZUOWIQPRSJDURM-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.78
Rot. Bonds4

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

2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol (PubChem CID 55064427) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
PubChem CID55064427
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2CCCC(CCO)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-12-4-6-14(7-5-12)19(17,18)15-9-2-3-13(11-15)8-10-16/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyZUOWIQPRSJDURM-UHFFFAOYSA-N
XLogP1.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
CID 62357804
2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227334
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 107227408
N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
CID 63879807
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364
N-benzyl-3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]propanamide
CID 91903725
2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol
CID 107228635
(3R)-3-[3-(1,3-dioxan-2-yl)propyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134948074

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol (CID 55064427) is 2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol is Cc1ccc(S(=O)(=O)N2CCCC(CCO)C2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol?
The InChIKey is ZUOWIQPRSJDURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-12-4-6-14(7-5-12)19(17,18)15-9-2-3-13(11-15)8-10-16/h4-7,13,16H,2-3,8-11H2,1H3.
What are the key properties of 2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol?
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol has a molecular weight of 283.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol is sourced from PubChem (CID 55064427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).