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

C14H19N3O2S2 — CID 79472414

IUPAC3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
SMILESCC(Cc1cccs1)N(C)c1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C14H19N3O2S2/c1-10(8-11-4-3-7-20-11)17(2)14-6-5-12(9-13(14)15)21(16,18)19/h3-7,9-10H,8,15H2,1-2H3,(H2,16,18,19)
InChIKeyIWMXGHGIZHSHPD-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.05
Rot. Bonds5

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

3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide (PubChem CID 79472414) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
PubChem CID79472414
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
SMILESCC(Cc1cccs1)N(C)c1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C14H19N3O2S2/c1-10(8-11-4-3-7-20-11)17(2)14-6-5-12(9-13(14)15)21(16,18)19/h3-7,9-10H,8,15H2,1-2H3,(H2,16,18,19)
InChIKeyIWMXGHGIZHSHPD-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

4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
CID 82898608
2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476050
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-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide
CID 79476281
4-amino-3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 82846366
3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 43783025
4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide
CID 63292300
1-N-methyl-4-methylsulfonyl-1-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79476498
1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide
CID 79471332
3-amino-4-[methyl(3-methylbutyl)amino]benzenesulfonamide
CID 61429947
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide (CID 79472414) is 3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide is CC(Cc1cccs1)N(C)c1ccc(S(N)(=O)=O)cc1N.
What is the InChIKey of 3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide?
The InChIKey is IWMXGHGIZHSHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10(8-11-4-3-7-20-11)17(2)14-6-5-12(9-13(14)15)21(16,18)19/h3-7,9-10H,8,15H2,1-2H3,(H2,16,18,19).
What are the key properties of 3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide?
3-amino-4-[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 3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 79472414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).