2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide

C11H17N3O2S — CID 80646231

IUPAC2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CC2C)cc1N
InChIInChI=1S/C11H17N3O2S/c1-7-5-10(7)14-8-3-4-11(9(12)6-8)17(15,16)13-2/h3-4,6-7,10,13-14H,5,12H2,1-2H3
InChIKeyFISFDTNDOGKFAE-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.00
Rot. Bonds4

About 2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide

2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide (PubChem CID 80646231) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide
PubChem CID80646231
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CC2C)cc1N
InChIInChI=1S/C11H17N3O2S/c1-7-5-10(7)14-8-3-4-11(9(12)6-8)17(15,16)13-2/h3-4,6-7,10,13-14H,5,12H2,1-2H3
InChIKeyFISFDTNDOGKFAE-UHFFFAOYSA-N
XLogP1.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.00
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-methyloxolan-3-yl)amino]benzenesulfonamide
CID 82725123
2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide
CID 80646229
2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106183085
2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 80646367
4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 62399118
2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 80641727
2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide
CID 83035007
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82898673
2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide
CID 106007200
2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 80645934
2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide
CID 80646159

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide (CID 80646231) is 2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NC2CC2C)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide?
The InChIKey is FISFDTNDOGKFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7-5-10(7)14-8-3-4-11(9(12)6-8)17(15,16)13-2/h3-4,6-7,10,13-14H,5,12H2,1-2H3.
What are the key properties of 2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide?
2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide is sourced from PubChem (CID 80646231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).