3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide

C11H19N3O2S — CID 43449158

IUPAC3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)(C)C)c(N)c1
InChIInChI=1S/C11H19N3O2S/c1-11(2,3)14-10-6-5-8(7-9(10)12)17(15,16)13-4/h5-7,13-14H,12H2,1-4H3
InChIKeyYEBAKGVNKODJQU-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.39
Rot. Bonds3

About 3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide

3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide (PubChem CID 43449158) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide
PubChem CID43449158
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)(C)C)c(N)c1
InChIInChI=1S/C11H19N3O2S/c1-11(2,3)14-10-6-5-8(7-9(10)12)17(15,16)13-4/h5-7,13-14H,12H2,1-4H3
InChIKeyYEBAKGVNKODJQU-UHFFFAOYSA-N
XLogP1.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158
3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzenesulfonamide
CID 115358102
3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
CID 63821852
3-amino-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 67169234
3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79352658
3-amino-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-methylbenzenesulfonamide
CID 106141042
3-amino-4-(2,4-dibromoanilino)-N-methylbenzenesulfonamide
CID 61475283
3-amino-4-(1,3-dihydroxypropan-2-ylamino)-N-methylbenzenesulfonamide
CID 65310174
4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 106183615
3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43449150
3-amino-4-(2,4-difluoroanilino)-N-methylbenzenesulfonamide
CID 43449192

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide (CID 43449158) is 3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NC(C)(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide?
The InChIKey is YEBAKGVNKODJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(2,3)14-10-6-5-8(7-9(10)12)17(15,16)13-4/h5-7,13-14H,12H2,1-4H3.
What are the key properties of 3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide?
3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43449158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).