N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide

C14H25N3O2S — CID 106055972

IUPACN-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
SMILESCCN(C)CCNS(=O)(=O)Cc1ccc(CNC)cc1
InChIInChI=1S/C14H25N3O2S/c1-4-17(3)10-9-16-20(18,19)12-14-7-5-13(6-8-14)11-15-2/h5-8,15-16H,4,9-12H2,1-3H3
InChIKeyCUJLYAADEXTEHU-UHFFFAOYSA-N
MW299.44 g/mol
LogP0.78
Rot. Bonds9

About N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide

N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide (PubChem CID 106055972) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
PubChem CID106055972
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
SMILESCCN(C)CCNS(=O)(=O)Cc1ccc(CNC)cc1
InChIInChI=1S/C14H25N3O2S/c1-4-17(3)10-9-16-20(18,19)12-14-7-5-13(6-8-14)11-15-2/h5-8,15-16H,4,9-12H2,1-3H3
InChIKeyCUJLYAADEXTEHU-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide 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

N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106020217
N-[2-(dimethylamino)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 106032445
1-[4-(methylaminomethyl)phenyl]-N-(4-methylsulfanylbutyl)methanesulfonamide
CID 106078230
1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide
CID 62641813
1-[3-(methylaminomethyl)phenyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 106055642
1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 106032448
N-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane
CID 155739258
1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 106410779
N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60824654
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide
CID 79579543
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141007
N-(2-ethoxyethyl)-N-methyl-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 81067624

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide (CID 106055972) is N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide is CCN(C)CCNS(=O)(=O)Cc1ccc(CNC)cc1.
What is the InChIKey of N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide?
The InChIKey is CUJLYAADEXTEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-17(3)10-9-16-20(18,19)12-14-7-5-13(6-8-14)11-15-2/h5-8,15-16H,4,9-12H2,1-3H3.
What are the key properties of N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide?
N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 0.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 106055972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).