4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide

C14H19N3O2S2 — CID 82898608

IUPAC4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
SMILESCC(Cc1cccs1)N(C)c1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C14H19N3O2S2/c1-10(8-11-4-3-7-20-11)17(2)14-9-12(21(16,18)19)5-6-13(14)15/h3-7,9-10H,8,15H2,1-2H3,(H2,16,18,19)
InChIKeyRVIYGXWOOVJGES-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.05
Rot. Bonds5

About 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide

4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide (PubChem CID 82898608) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
PubChem CID82898608
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
SMILESCC(Cc1cccs1)N(C)c1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C14H19N3O2S2/c1-10(8-11-4-3-7-20-11)17(2)14-9-12(21(16,18)19)5-6-13(14)15/h3-7,9-10H,8,15H2,1-2H3,(H2,16,18,19)
InChIKeyRVIYGXWOOVJGES-UHFFFAOYSA-N
XLogP2.05
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
CID 79472414
4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide
CID 79476281
2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476050
4-amino-3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 82846366
2-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476571
3-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471331
4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide
CID 63292300
1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide
CID 79471332
3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 43783025
3-amino-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzoic acid
CID 115935277
4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide
CID 82907155
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491901

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide (CID 82898608) is 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide is CC(Cc1cccs1)N(C)c1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide?
The InChIKey is RVIYGXWOOVJGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10(8-11-4-3-7-20-11)17(2)14-9-12(21(16,18)19)5-6-13(14)15/h3-7,9-10H,8,15H2,1-2H3,(H2,16,18,19).
What are the key properties of 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide?
4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 82898608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).