1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol

C16H26N2O4S — CID 167919276

IUPAC1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol
SMILESCc1ccc(C(O)CNCC2(CS(C)(=O)=O)CCOCC2)cn1
InChIInChI=1S/C16H26N2O4S/c1-13-3-4-14(9-18-13)15(19)10-17-11-16(12-23(2,20)21)5-7-22-8-6-16/h3-4,9,15,17,19H,5-8,10-12H2,1-2H3
InChIKeyUQKOMVYPBGPYKT-UHFFFAOYSA-N
MW342.46 g/mol
LogP0.85
Rot. Bonds7

About 1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol

1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol (PubChem CID 167919276) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol
PubChem CID167919276
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol
SMILESCc1ccc(C(O)CNCC2(CS(C)(=O)=O)CCOCC2)cn1
InChIInChI=1S/C16H26N2O4S/c1-13-3-4-14(9-18-13)15(19)10-17-11-16(12-23(2,20)21)5-7-22-8-6-16/h3-4,9,15,17,19H,5-8,10-12H2,1-2H3
InChIKeyUQKOMVYPBGPYKT-UHFFFAOYSA-N
XLogP0.85
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]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

1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol
CID 115609857
[4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol
CID 104824016
N-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine
CID 139514127
3-[[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]methyl]oxolan-3-ol
CID 106100744
1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol
CID 104823049
1-(4-chloro-2-methylphenyl)-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]methanamine
CID 86794725
4-[[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]methyl]oxan-4-ol
CID 81133889
2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
CID 11587721
N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-3-nitropyridin-2-amine
CID 133405865
2-(cyclohexylamino)-1-(6-methyl-3-pyridinyl)ethanol
CID 56694973
N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 116765942
5-bromo-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyridin-3-amine
CID 133405812

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol (CID 167919276) is 1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol is Cc1ccc(C(O)CNCC2(CS(C)(=O)=O)CCOCC2)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol?
The InChIKey is UQKOMVYPBGPYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-13-3-4-14(9-18-13)15(19)10-17-11-16(12-23(2,20)21)5-7-22-8-6-16/h3-4,9,15,17,19H,5-8,10-12H2,1-2H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol?
1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol has a molecular weight of 342.46 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol is sourced from PubChem (CID 167919276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).