2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethanol

C16H25NO3S — CID 60957615

IUPAC2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethanol
SMILESCc1cc(C)c(S(=O)(=O)N2CCCCC2CCO)c(C)c1
InChIInChI=1S/C16H25NO3S/c1-12-10-13(2)16(14(3)11-12)21(19,20)17-8-5-4-6-15(17)7-9-18/h10-11,15,18H,4-9H2,1-3H3
InChIKeyMFQLBHKBABRGLX-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.54
Rot. Bonds4

About 2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethanol

2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethanol (PubChem CID 60957615) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethanol
PubChem CID60957615
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethanol
SMILESCc1cc(C)c(S(=O)(=O)N2CCCCC2CCO)c(C)c1
InChIInChI=1S/C16H25NO3S/c1-12-10-13(2)16(14(3)11-12)21(19,20)17-8-5-4-6-15(17)7-9-18/h10-11,15,18H,4-9H2,1-3H3
InChIKeyMFQLBHKBABRGLX-UHFFFAOYSA-N
XLogP2.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]ethanol
CID 138627960
1-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol
CID 146628071
(1R,5S)-8-(4-tert-butylphenylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 46880557
(R)-2-(1-(tert-butylsulfonyl)-3-(1-phenylvinyl)-2,5-dihydro-1H-pyrrol-2-yl)ethanol
CID 44825400
(S)-2-(1-(tert-butylsulfonyl)-3-(1-phenylvinyl)-2,5-dihydro-1H-pyrrol-2-yl)ethanol
CID 44825413
2-Methyl-1-[(4-methylphenyl)sulfonyl]-4-piperidinol
CID 3143025
Tasin-30
CID 118308351
2-[1-(4-Methylphenyl)sulfonylpiperidin-2-yl]ethanol
CID 358286
1-(Mesitylsulfonyl)-2,6-dimethylpiperidine
CID 3666797
(1-Tosylpiperidin-3-yl)methanol
CID 3318640
(1-Tosylpiperidin-2-yl)methanol
CID 3319699
1-[(4-Methylbenzene)-sulfonyl]-4-piperidinol
CID 14518091

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethanol (CID 60957615) is 2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethanol is Cc1cc(C)c(S(=O)(=O)N2CCCCC2CCO)c(C)c1.
What is the InChIKey of 2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethanol?
The InChIKey is MFQLBHKBABRGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-12-10-13(2)16(14(3)11-12)21(19,20)17-8-5-4-6-15(17)7-9-18/h10-11,15,18H,4-9H2,1-3H3.
What are the key properties of 2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethanol?
2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethanol has a molecular weight of 311.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethanol is sourced from PubChem (CID 60957615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).