N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide

C14H25N3O2S — CID 106074318

IUPACN-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(C)c(S(=O)(=O)NC(C)CN(C)C)c1
InChIInChI=1S/C14H25N3O2S/c1-11-6-7-13(9-15-3)8-14(11)20(18,19)16-12(2)10-17(4)5/h6-8,12,15-16H,9-10H2,1-5H3
InChIKeyUASSOKYNRZXVSG-UHFFFAOYSA-N
MW299.44 g/mol
LogP0.94
Rot. Bonds7

About N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide

N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 106074318) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
PubChem CID106074318
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(C)c(S(=O)(=O)NC(C)CN(C)C)c1
InChIInChI=1S/C14H25N3O2S/c1-11-6-7-13(9-15-3)8-14(11)20(18,19)16-12(2)10-17(4)5/h6-8,12,15-16H,9-10H2,1-5H3
InChIKeyUASSOKYNRZXVSG-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)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

2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide
CID 106074343
N-(1-ethylsulfanylpropan-2-yl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106083228
2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053715
N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 82949892
N-[4-(dimethylamino)butyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106051733
N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106074298
N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084997
5-amino-4-bromo-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 114626035
2-chloro-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079618
N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106061352
5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide
CID 106046633
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82950147

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide (CID 106074318) is N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(C)c(S(=O)(=O)NC(C)CN(C)C)c1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is UASSOKYNRZXVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11-6-7-13(9-15-3)8-14(11)20(18,19)16-12(2)10-17(4)5/h6-8,12,15-16H,9-10H2,1-5H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 0.94, 7 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]-2-methyl-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106074318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).