5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide

C14H19N3O2S2 — CID 103286878

IUPAC5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide
SMILESCCC(Nc1ccc(N)cc1S(=O)(=O)NC)c1cccs1
InChIInChI=1S/C14H19N3O2S2/c1-3-11(13-5-4-8-20-13)17-12-7-6-10(15)9-14(12)21(18,19)16-2/h4-9,11,16-17H,3,15H2,1-2H3
InChIKeyYQGWXOKIKCFCQG-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.80
Rot. Bonds6

About 5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide

5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide (PubChem CID 103286878) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide
PubChem CID103286878
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide
SMILESCCC(Nc1ccc(N)cc1S(=O)(=O)NC)c1cccs1
InChIInChI=1S/C14H19N3O2S2/c1-3-11(13-5-4-8-20-13)17-12-7-6-10(15)9-14(12)21(18,19)16-2/h4-9,11,16-17H,3,15H2,1-2H3
InChIKeyYQGWXOKIKCFCQG-UHFFFAOYSA-N
XLogP2.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)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

5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide
CID 103287107
2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
CID 63734094
3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 82988987
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide
CID 103287104
5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 103286857
2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide
CID 103286872
4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide
CID 43745768
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline
CID 81264228
4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 65343285
2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide (CID 103286878) is 5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide is CCC(Nc1ccc(N)cc1S(=O)(=O)NC)c1cccs1.
What is the InChIKey of 5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide?
The InChIKey is YQGWXOKIKCFCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-3-11(13-5-4-8-20-13)17-12-7-6-10(15)9-14(12)21(18,19)16-2/h4-9,11,16-17H,3,15H2,1-2H3.
What are the key properties of 5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide?
5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide is sourced from PubChem (CID 103286878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).