2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide

C14H19N3O2S2 — CID 115992879

IUPAC2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide
SMILESCC(C)(CNc1cccc(S(N)(=O)=O)c1N)c1cccs1
InChIInChI=1S/C14H19N3O2S2/c1-14(2,12-7-4-8-20-12)9-17-10-5-3-6-11(13(10)15)21(16,18)19/h3-8,17H,9,15H2,1-2H3,(H2,16,18,19)
InChIKeyYYPHHKIDPOEPCZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.37
Rot. Bonds5

About 2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide

2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide (PubChem CID 115992879) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide
PubChem CID115992879
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide
SMILESCC(C)(CNc1cccc(S(N)(=O)=O)c1N)c1cccs1
InChIInChI=1S/C14H19N3O2S2/c1-14(2,12-7-4-8-20-12)9-17-10-5-3-6-11(13(10)15)21(16,18)19/h3-8,17H,9,15H2,1-2H3,(H2,16,18,19)
InChIKeyYYPHHKIDPOEPCZ-UHFFFAOYSA-N
XLogP2.37
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
CID 112674811
2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide
CID 115992256
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
1-N-(2-methyl-2-thiophen-2-ylpropyl)-4-nitrobenzene-1,2-diamine
CID 80526095
2-amino-3-[(3-bromothiophen-2-yl)methylamino]benzenesulfonamide
CID 112674999
4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 80526019
methyl 4-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzoate
CID 82778099
2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80526302
1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide
CID 80526318
2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
CID 112674946
2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 79477673

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide (CID 115992879) is 2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide is CC(C)(CNc1cccc(S(N)(=O)=O)c1N)c1cccs1.
What is the InChIKey of 2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide?
The InChIKey is YYPHHKIDPOEPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-14(2,12-7-4-8-20-12)9-17-10-5-3-6-11(13(10)15)21(16,18)19/h3-8,17H,9,15H2,1-2H3,(H2,16,18,19).
What are the key properties of 2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide?
2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide is sourced from PubChem (CID 115992879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).