2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol

C13H28N2O3S — CID 56802566

IUPAC2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol
SMILESCN(CCCS(C)(=O)=O)CC1CCN(CCO)CC1
InChIInChI=1S/C13H28N2O3S/c1-14(6-3-11-19(2,17)18)12-13-4-7-15(8-5-13)9-10-16/h13,16H,3-12H2,1-2H3
InChIKeyNEDQRKFITICLSH-UHFFFAOYSA-N
MW292.44 g/mol
LogP0.06
Rot. Bonds8

About 2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol

2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol (PubChem CID 56802566) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol
PubChem CID56802566
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol
SMILESCN(CCCS(C)(=O)=O)CC1CCN(CCO)CC1
InChIInChI=1S/C13H28N2O3S/c1-14(6-3-11-19(2,17)18)12-13-4-7-15(8-5-13)9-10-16/h13,16H,3-12H2,1-2H3
InChIKeyNEDQRKFITICLSH-UHFFFAOYSA-N
XLogP0.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-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

(2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95314347
3-[methyl-[1-(2-methylsulfonylethyl)piperidin-4-yl]amino]propan-1-ol
CID 111381524
3-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
CID 119123946
N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine
CID 64585741
N-methyl-3-methylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 104870274
N-[[1-(3-methylsulfonylpropyl)piperidin-4-yl]methyl]ethanamine
CID 63191516
4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
CID 79858261
2-[[1-[3-(dimethylamino)propyl]piperidin-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 54060629
4-bromo-1-(3-methylsulfonylpropyl)piperidine
CID 80679011
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 95345385
1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 71925951
(2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 97087148

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol (CID 56802566) is 2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol is CN(CCCS(C)(=O)=O)CC1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol?
The InChIKey is NEDQRKFITICLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-14(6-3-11-19(2,17)18)12-13-4-7-15(8-5-13)9-10-16/h13,16H,3-12H2,1-2H3.
What are the key properties of 2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol?
2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol has a molecular weight of 292.44 g/mol, XLogP of 0.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 56802566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).