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

C13H23N3O3S — CID 106140315

IUPAC4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C13H23N3O3S/c1-10-7-11(14)5-6-12(10)20(18,19)15-8-13(2,17)9-16(3)4/h5-7,15,17H,8-9,14H2,1-4H3
InChIKeyCHBBCWGMTHGIKS-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.17
Rot. Bonds6

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

4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide (PubChem CID 106140315) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
PubChem CID106140315
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C13H23N3O3S/c1-10-7-11(14)5-6-12(10)20(18,19)15-8-13(2,17)9-16(3)4/h5-7,15,17H,8-9,14H2,1-4H3
InChIKeyCHBBCWGMTHGIKS-UHFFFAOYSA-N
XLogP0.17
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.17
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

5-amino-2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140415
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 104600145
5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 106140330
5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylbenzenesulfonamide
CID 29041934
2-amino-5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140176
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide
CID 106140232
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,4-difluorobenzenesulfonamide
CID 103838114
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 103838118
N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
CID 65113169
methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate
CID 43257168
5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 29033224
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide
CID 103838120

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide (CID 106140315) is 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)NCC(C)(O)CN(C)C.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide?
The InChIKey is CHBBCWGMTHGIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-10-7-11(14)5-6-12(10)20(18,19)15-8-13(2,17)9-16(3)4/h5-7,15,17H,8-9,14H2,1-4H3.
What are the key properties of 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide?
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.17, 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]-2-methylbenzenesulfonamide is sourced from PubChem (CID 106140315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).