2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol

C12H19NO3S — CID 110899571

IUPAC2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol
SMILESCCN(C)CC(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H19NO3S/c1-4-13(2)9-12(14)10-5-7-11(8-6-10)17(3,15)16/h5-8,12,14H,4,9H2,1-3H3
InChIKeyYLUFAOXBVYFVJY-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.08
Rot. Bonds5

About 2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol

2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 110899571) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol
PubChem CID110899571
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol
SMILESCCN(C)CC(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H19NO3S/c1-4-13(2)9-12(14)10-5-7-11(8-6-10)17(3,15)16/h5-8,12,14H,4,9H2,1-3H3
InChIKeyYLUFAOXBVYFVJY-UHFFFAOYSA-N
XLogP1.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)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

3-[ethyl-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]propanenitrile
CID 111634222
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol
CID 110924112
2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 111382017
2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]-1-(4-methylsulfonylphenyl)ethanol
CID 154774645
1-(4-methylsulfonylphenyl)heptan-1-ol
CID 115783500
1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
CID 131858133
2-ethyl-1-(4-methylsulfonylphenyl)butan-1-ol
CID 115821895
2-[cyclopropyl(3-methylbutyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 110898512
2-(3-ethylpentan-3-ylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 65039226
1-(4-methylsulfonylphenyl)pent-4-yn-1-ol
CID 115799453

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol (CID 110899571) is 2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol is CCN(C)CC(O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is YLUFAOXBVYFVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-13(2)9-12(14)10-5-7-11(8-6-10)17(3,15)16/h5-8,12,14H,4,9H2,1-3H3.
What are the key properties of 2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol?
2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol has a molecular weight of 257.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 110899571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).