N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide

C13H23N3O2S — CID 115378312

IUPACN-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C13H23N3O2S/c1-5-14-8-9-19(17,18)15-12-7-6-11(2)13(10-12)16(3)4/h6-7,10,14-15H,5,8-9H2,1-4H3
InChIKeyRCNLHLRKDRSVHK-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.41
Rot. Bonds7

About N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide

N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide (PubChem CID 115378312) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide
PubChem CID115378312
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C13H23N3O2S/c1-5-14-8-9-19(17,18)15-12-7-6-11(2)13(10-12)16(3)4/h6-7,10,14-15H,5,8-9H2,1-4H3
InChIKeyRCNLHLRKDRSVHK-UHFFFAOYSA-N
XLogP1.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide 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-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide
CID 54973592
1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide
CID 115379001
2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene
CID 112573869
3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide
CID 114258136
N-(3-fluoro-4-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 107491506
N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106073981
N-[3-(dimethylamino)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169371894
N-(4-bromo-3-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 114141110
N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide
CID 115378310
N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide
CID 115378355
N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide
CID 62003055
3-[[3-(dimethylamino)-4-methylphenyl]sulfamoyl-methylamino]propanoic acid
CID 115376567

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide (CID 115378312) is N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide is CCNCCS(=O)(=O)Nc1ccc(C)c(N(C)C)c1.
What is the InChIKey of N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide?
The InChIKey is RCNLHLRKDRSVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-14-8-9-19(17,18)15-12-7-6-11(2)13(10-12)16(3)4/h6-7,10,14-15H,5,8-9H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide?
N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 115378312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).