1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide

C14H25N3O2S — CID 62020518

IUPAC1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C14H25N3O2S/c1-14(2,11-17(3)4)10-16-20(18,19)9-12-7-5-6-8-13(12)15/h5-8,16H,9-11,15H2,1-4H3
InChIKeyFGOYAMMZRPSTAK-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.28
Rot. Bonds7

About 1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide

1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide (PubChem CID 62020518) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide
PubChem CID62020518
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C14H25N3O2S/c1-14(2,11-17(3)4)10-16-20(18,19)9-12-7-5-6-8-13(12)15/h5-8,16H,9-11,15H2,1-4H3
InChIKeyFGOYAMMZRPSTAK-UHFFFAOYSA-N
XLogP1.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.28
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

1-(2-aminophenyl)-N-ethylmethanesulfonamide
CID 62021443
1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide
CID 105413522
3-[2-[(2-aminophenyl)methylsulfonylamino]ethyl]-1,1-dimethylurea
CID 83107685
2-[(2-aminophenyl)methylsulfonylamino]acetamide
CID 62021826
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
CID 4993242
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide;dihydrochloride
CID 119946092
1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
CID 62022605
5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylbenzenesulfonamide
CID 29041934
1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 82882627
5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 29033224
3-[(2-aminophenyl)methylsulfonylamino]propane-1-sulfonamide
CID 62020736
1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 79381244

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide (CID 62020518) is 1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide is CN(C)CC(C)(C)CNS(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide?
The InChIKey is FGOYAMMZRPSTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-14(2,11-17(3)4)10-16-20(18,19)9-12-7-5-6-8-13(12)15/h5-8,16H,9-11,15H2,1-4H3.
What are the key properties of 1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide?
1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide is sourced from PubChem (CID 62020518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).