2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide

C12H19N3O2S — CID 80646229

IUPAC2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CC2(C)C)cc1N
InChIInChI=1S/C12H19N3O2S/c1-12(2)7-11(12)15-8-4-5-10(9(13)6-8)18(16,17)14-3/h4-6,11,14-15H,7,13H2,1-3H3
InChIKeyCWNKXEPFENIKNJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.39
Rot. Bonds4

About 2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide

2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide (PubChem CID 80646229) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide
PubChem CID80646229
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CC2(C)C)cc1N
InChIInChI=1S/C12H19N3O2S/c1-12(2)7-11(12)15-8-4-5-10(9(13)6-8)18(16,17)14-3/h4-6,11,14-15H,7,13H2,1-3H3
InChIKeyCWNKXEPFENIKNJ-UHFFFAOYSA-N
XLogP1.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
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

2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 80646231
2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide
CID 83035007
2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
CID 82725123
2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106183085
2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 80646367
2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 80641727
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide
CID 105413934
2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 80645596
2-amino-N-methyl-4-(2-methylpentan-3-ylamino)benzenesulfonamide
CID 80645869
2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide
CID 79466462
2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide
CID 106007200

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide (CID 80646229) is 2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NC2CC2(C)C)cc1N.
What is the InChIKey of 2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is CWNKXEPFENIKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(2)7-11(12)15-8-4-5-10(9(13)6-8)18(16,17)14-3/h4-6,11,14-15H,7,13H2,1-3H3.
What are the key properties of 2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide?
2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 80646229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).