2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol

C13H22N2O3S — CID 84589667

IUPAC2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol
SMILESCCCN(Cc1ccccc1O)S(=O)(=O)N(C)CC
InChIInChI=1S/C13H22N2O3S/c1-4-10-15(19(17,18)14(3)5-2)11-12-8-6-7-9-13(12)16/h6-9,16H,4-5,10-11H2,1-3H3
InChIKeyFEEHQOREOYDJLS-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.80
Rot. Bonds7

About 2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol

2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol (PubChem CID 84589667) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol
PubChem CID84589667
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol
SMILESCCCN(Cc1ccccc1O)S(=O)(=O)N(C)CC
InChIInChI=1S/C13H22N2O3S/c1-4-10-15(19(17,18)14(3)5-2)11-12-8-6-7-9-13(12)16/h6-9,16H,4-5,10-11H2,1-3H3
InChIKeyFEEHQOREOYDJLS-UHFFFAOYSA-N
XLogP1.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[propan-2-yl(propyl)amino]methyl]phenol
CID 79038025
benzene;2-ethylphenol
CID 159726745
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 78924660
3-[ethyl-[(2-hydroxyphenyl)methyl]amino]butanoic acid
CID 65060655
N,N-dipropylbenzenesulfonamide
CID 4053954
magnesium;2-ethylphenol;chloride
CID 173391731
2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol
CID 115349430
1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
CID 62022053
N-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide
CID 103633623
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
2-bromo-3-[[(2-hydroxyphenyl)methyl-propylamino]methyl]phenol
CID 154877813
2-[2-[benzyl(methyl)amino]ethyl]phenol
CID 70480829

Frequently Asked Questions

What is the IUPAC name of 2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol?
The IUPAC name of 2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol (CID 84589667) is 2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol.
What is the SMILES notation for 2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol?
The canonical SMILES for 2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol is CCCN(Cc1ccccc1O)S(=O)(=O)N(C)CC.
What is the InChIKey of 2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol?
The InChIKey is FEEHQOREOYDJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-10-15(19(17,18)14(3)5-2)11-12-8-6-7-9-13(12)16/h6-9,16H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol?
2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol has a molecular weight of 286.40 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol is sourced from PubChem (CID 84589667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).