2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide

C14H19N3O2S2 — CID 107115573

IUPAC2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCCc2cccs2)c1N
InChIInChI=1S/C14H19N3O2S2/c1-17(2)21(18,19)13-7-3-6-12(14(13)15)16-9-8-11-5-4-10-20-11/h3-7,10,16H,8-9,15H2,1-2H3
InChIKeyKAUOPNQNTMFKDF-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.24
Rot. Bonds6

About 2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide

2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide (PubChem CID 107115573) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide
PubChem CID107115573
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCCc2cccs2)c1N
InChIInChI=1S/C14H19N3O2S2/c1-17(2)21(18,19)13-7-3-6-12(14(13)15)16-9-8-11-5-4-10-20-11/h3-7,10,16H,8-9,15H2,1-2H3
InChIKeyKAUOPNQNTMFKDF-UHFFFAOYSA-N
XLogP2.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)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-amino-N,N-dimethyl-3-(3-methylsulfonylpropylamino)benzenesulfonamide
CID 107116170
2-amino-N,N-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
CID 107116378
2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 107116285
2-amino-3-[2-(1H-imidazol-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 107116762
2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
CID 107116230
2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline
CID 43453652
2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 107116608
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613
2-[2-(dimethylsulfamoylamino)ethyl]thiophene
CID 35309368
2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide
CID 107116008
2-amino-N,N-dimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 107115943
2-amino-3-[(2-ethyl-2-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116413

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide (CID 107115573) is 2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(NCCc2cccs2)c1N.
What is the InChIKey of 2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide?
The InChIKey is KAUOPNQNTMFKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-17(2)21(18,19)13-7-3-6-12(14(13)15)16-9-8-11-5-4-10-20-11/h3-7,10,16H,8-9,15H2,1-2H3.
What are the key properties of 2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide?
2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 107115573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).