2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol

C11H23NO4S — CID 63290285

IUPAC2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol
SMILESCOCCCS(=O)(=O)N1CCCC(CCO)C1
InChIInChI=1S/C11H23NO4S/c1-16-8-3-9-17(14,15)12-6-2-4-11(10-12)5-7-13/h11,13H,2-10H2,1H3
InChIKeyRURHSVBSZLBJAC-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.45
Rot. Bonds7

About 2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol

2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol (PubChem CID 63290285) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol
PubChem CID63290285
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol
SMILESCOCCCS(=O)(=O)N1CCCC(CCO)C1
InChIInChI=1S/C11H23NO4S/c1-16-8-3-9-17(14,15)12-6-2-4-11(10-12)5-7-13/h11,13H,2-10H2,1H3
InChIKeyRURHSVBSZLBJAC-UHFFFAOYSA-N
XLogP0.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63879116
2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol
CID 107227327
(3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol
CID 66291110
1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine
CID 106588259
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine
CID 106586707
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
(3R)-1-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)azepane
CID 124735492
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 106586181
[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol
CID 83059984
2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 107652578
3-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-sulfonamide
CID 115969767
[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
CID 63288293

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol (CID 63290285) is 2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol is COCCCS(=O)(=O)N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol?
The InChIKey is RURHSVBSZLBJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-16-8-3-9-17(14,15)12-6-2-4-11(10-12)5-7-13/h11,13H,2-10H2,1H3.
What are the key properties of 2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol?
2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol has a molecular weight of 265.37 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 63290285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).