5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide

C12H21N3O3S — CID 103287457

IUPAC5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NC(C)(C)C(C)O
InChIInChI=1S/C12H21N3O3S/c1-8(16)12(2,3)15-10-6-5-9(13)7-11(10)19(17,18)14-4/h5-8,14-16H,13H2,1-4H3
InChIKeyVCIUACJCVHGVTI-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.75
Rot. Bonds5

About 5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide

5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide (PubChem CID 103287457) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide
PubChem CID103287457
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NC(C)(C)C(C)O
InChIInChI=1S/C12H21N3O3S/c1-8(16)12(2,3)15-10-6-5-9(13)7-11(10)19(17,18)14-4/h5-8,14-16H,13H2,1-4H3
InChIKeyVCIUACJCVHGVTI-UHFFFAOYSA-N
XLogP0.75
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide
CID 103286934
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide
CID 103286871
5-amino-2-hydroxy-N-methylbenzenesulfonamide
CID 75525559
5-amino-N-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]benzenesulfonamide
CID 103287383
5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide
CID 103286692
5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 103286857
2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide
CID 103286872
5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide
CID 106290279
5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide
CID 103286994
5-amino-N-methyl-2-(2-methylanilino)benzenesulfonamide
CID 103286687

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide (CID 103287457) is 5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NC(C)(C)C(C)O.
What is the InChIKey of 5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide?
The InChIKey is VCIUACJCVHGVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-8(16)12(2,3)15-10-6-5-9(13)7-11(10)19(17,18)14-4/h5-8,14-16H,13H2,1-4H3.
What are the key properties of 5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide?
5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.75, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 103287457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).