N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide

C14H25N3O2S — CID 106074311

IUPACN-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1cccc(S(=O)(=O)NC(C)CN(C)C)c1
InChIInChI=1S/C14H25N3O2S/c1-5-15-10-13-7-6-8-14(9-13)20(18,19)16-12(2)11-17(3)4/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyOHWCHHUVOJNBRE-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.02
Rot. Bonds8

About N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide

N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide (PubChem CID 106074311) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide
PubChem CID106074311
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1cccc(S(=O)(=O)NC(C)CN(C)C)c1
InChIInChI=1S/C14H25N3O2S/c1-5-15-10-13-7-6-8-14(9-13)20(18,19)16-12(2)11-17(3)4/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyOHWCHHUVOJNBRE-UHFFFAOYSA-N
XLogP1.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide 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-pentan-2-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106046653
3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051321
N-[1-(dimethylamino)propan-2-yl]-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 106074335
3-[[(3-fluorophenyl)methylamino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 47620145
N-pentan-3-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106032210
2-N-ethyl-2-N-[[3-(ethylaminomethyl)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191702
3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43579029
5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid
CID 82945005
2-bromo-N-[1-(dimethylamino)propan-2-yl]-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106074422
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
CID 62423900
N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
CID 114141820
N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106029965

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide (CID 106074311) is N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide is CCNCc1cccc(S(=O)(=O)NC(C)CN(C)C)c1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide?
The InChIKey is OHWCHHUVOJNBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-15-10-13-7-6-8-14(9-13)20(18,19)16-12(2)11-17(3)4/h6-9,12,15-16H,5,10-11H2,1-4H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide?
N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106074311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).