2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide

C12H21N3O2S — CID 107115613

IUPAC2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(C)(C)C)c1N
InChIInChI=1S/C12H21N3O2S/c1-12(2,3)14-9-7-6-8-10(11(9)13)18(16,17)15(4)5/h6-8,14H,13H2,1-5H3
InChIKeyYALCKORJYXCGBD-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.73
Rot. Bonds3

About 2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide

2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 107115613) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID107115613
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(C)(C)C)c1N
InChIInChI=1S/C12H21N3O2S/c1-12(2,3)14-9-7-6-8-10(11(9)13)18(16,17)15(4)5/h6-8,14H,13H2,1-5H3
InChIKeyYALCKORJYXCGBD-UHFFFAOYSA-N
XLogP1.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide
CID 106095636
2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 107116285
2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide
CID 107115709
2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide
CID 107115684
2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
CID 107116230
2-amino-3-[(2-ethyl-2-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116413
2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide
CID 107115669
2-amino-N,N-dimethyl-3-(3-methylsulfonylpropylamino)benzenesulfonamide
CID 107116170
2-amino-3-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 107116415
2-[2-amino-3-(dimethylsulfamoyl)anilino]propanamide
CID 107115830
2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide
CID 107115678

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide (CID 107115613) is 2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(NC(C)(C)C)c1N.
What is the InChIKey of 2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is YALCKORJYXCGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-12(2,3)14-9-7-6-8-10(11(9)13)18(16,17)15(4)5/h6-8,14H,13H2,1-5H3.
What are the key properties of 2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide?
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 107115613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).