4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide

C15H27N3O2S — CID 79568750

IUPAC4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C15H27N3O2S/c1-10(2)14(9-18(5)6)17-21(19,20)15-11(3)7-13(16)8-12(15)4/h7-8,10,14,17H,9,16H2,1-6H3
InChIKeyXRSNJTMNPFTKIC-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.75
Rot. Bonds6

About 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide

4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide (PubChem CID 79568750) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
PubChem CID79568750
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C15H27N3O2S/c1-10(2)14(9-18(5)6)17-21(19,20)15-11(3)7-13(16)8-12(15)4/h7-8,10,14,17H,9,16H2,1-6H3
InChIKeyXRSNJTMNPFTKIC-UHFFFAOYSA-N
XLogP1.75
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.75
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

4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476435
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2,6-dimethylbenzenesulfonamide
CID 79588447
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79588527
6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 61476354
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 61476316
4-amino-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476056
5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide
CID 61476241
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide
CID 61476398
4-amino-N-but-3-en-2-yl-2,6-dimethylbenzenesulfonamide
CID 113480780
ethyl 2-[(4-amino-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 79588437
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide
CID 61478066
4-amino-2,6-difluoro-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 61468709

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide (CID 79568750) is 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)NC(CN(C)C)C(C)C.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide?
The InChIKey is XRSNJTMNPFTKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-10(2)14(9-18(5)6)17-21(19,20)15-11(3)7-13(16)8-12(15)4/h7-8,10,14,17H,9,16H2,1-6H3.
What are the key properties of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide?
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 79568750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).