2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide

C14H24N2O2S — CID 61112179

IUPAC2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)C(C)(C)C)c(N)c1
InChIInChI=1S/C14H24N2O2S/c1-10-7-8-13(12(15)9-10)19(17,18)16(6)11(2)14(3,4)5/h7-9,11H,15H2,1-6H3
InChIKeyNRTBUHYTUABIJK-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.63
Rot. Bonds3

About 2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide

2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide (PubChem CID 61112179) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide
PubChem CID61112179
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)C(C)(C)C)c(N)c1
InChIInChI=1S/C14H24N2O2S/c1-10-7-8-13(12(15)9-10)19(17,18)16(6)11(2)14(3,4)5/h7-9,11H,15H2,1-6H3
InChIKeyNRTBUHYTUABIJK-UHFFFAOYSA-N
XLogP2.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide
CID 55029369
2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 62333869
2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 61138647
2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 112656640
3-amino-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylbenzenesulfonamide
CID 61112938
2-amino-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053835
2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266857
2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 114276959
5-amino-2-chloro-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 61113694
2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43257152
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 61476316
3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107325691

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide (CID 61112179) is 2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C(C)C(C)(C)C)c(N)c1.
What is the InChIKey of 2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is NRTBUHYTUABIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-10-7-8-13(12(15)9-10)19(17,18)16(6)11(2)14(3,4)5/h7-9,11H,15H2,1-6H3.
What are the key properties of 2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide?
2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 61112179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).