2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide

C12H20N2O3S — CID 114175052

IUPAC2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
SMILESCC(NCCS(=O)(=O)N(C)C)c1ccc(O)cc1
InChIInChI=1S/C12H20N2O3S/c1-10(11-4-6-12(15)7-5-11)13-8-9-18(16,17)14(2)3/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyNNXISZQEHIZLLS-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.93
Rot. Bonds6

About 2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide

2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide (PubChem CID 114175052) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
PubChem CID114175052
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
SMILESCC(NCCS(=O)(=O)N(C)C)c1ccc(O)cc1
InChIInChI=1S/C12H20N2O3S/c1-10(11-4-6-12(15)7-5-11)13-8-9-18(16,17)14(2)3/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyNNXISZQEHIZLLS-UHFFFAOYSA-N
XLogP0.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 106335344
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106335342
3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54935284
4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol
CID 62636904
4-[1-(2-aminoethylamino)ethyl]phenol
CID 60887563
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
CID 61043440
4-[1-(3-aminopropylamino)ethyl]phenol
CID 60889322
2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide
CID 107705457
2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 106335143
4-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethyl]phenol
CID 55126811
(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
CID 81347805
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide
CID 103912645

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide (CID 114175052) is 2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide is CC(NCCS(=O)(=O)N(C)C)c1ccc(O)cc1.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide?
The InChIKey is NNXISZQEHIZLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(11-4-6-12(15)7-5-11)13-8-9-18(16,17)14(2)3/h4-7,10,13,15H,8-9H2,1-3H3.
What are the key properties of 2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide?
2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 114175052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).