4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide

C12H21N3O3S — CID 104600145

IUPAC4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H21N3O3S/c1-12(16,9-15(2)3)8-14-19(17,18)11-6-4-10(13)5-7-11/h4-7,14,16H,8-9,13H2,1-3H3
InChIKeyQNZKNNDRQKKHFQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP-0.14
Rot. Bonds6

About 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide

4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide (PubChem CID 104600145) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
PubChem CID104600145
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H21N3O3S/c1-12(16,9-15(2)3)8-14-19(17,18)11-6-4-10(13)5-7-11/h4-7,14,16H,8-9,13H2,1-3H3
InChIKeyQNZKNNDRQKKHFQ-UHFFFAOYSA-N
XLogP-0.14
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide
CID 103838120
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 106140315
5-amino-2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140415
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide
CID 106145672
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide
CID 106140232
4-amino-N-(2,2-difluoropropyl)benzenesulfonamide
CID 71579055
2-amino-5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140176
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide
CID 106146436
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 103838219
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid
CID 29293310
2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 106139459

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide (CID 104600145) is 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide is CN(C)CC(C)(O)CNS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide?
The InChIKey is QNZKNNDRQKKHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-12(16,9-15(2)3)8-14-19(17,18)11-6-4-10(13)5-7-11/h4-7,14,16H,8-9,13H2,1-3H3.
What are the key properties of 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide?
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide is sourced from PubChem (CID 104600145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).