2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide

C13H22N2O2S — CID 62951903

IUPAC2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCCC(C)(C)C
InChIInChI=1S/C13H22N2O2S/c1-13(2,3)9-10-15-11-7-5-6-8-12(11)18(16,17)14-4/h5-8,14-15H,9-10H2,1-4H3
InChIKeyYKNHRHOSXNDHER-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.44
Rot. Bonds5

About 2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide

2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide (PubChem CID 62951903) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
PubChem CID62951903
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCCC(C)(C)C
InChIInChI=1S/C13H22N2O2S/c1-13(2,3)9-10-15-11-7-5-6-8-12(11)18(16,17)14-4/h5-8,14-15H,9-10H2,1-4H3
InChIKeyYKNHRHOSXNDHER-UHFFFAOYSA-N
XLogP2.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutyl)-2-ethylsulfonylaniline
CID 62951511
2-(2-methoxyethylamino)-N-methylbenzenesulfonamide
CID 43454289
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
2-(6-aminohexylamino)-N-methylbenzenesulfonamide
CID 107845260
2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide
CID 43454301
3-[2-(methylsulfamoyl)anilino]propanamide
CID 43553671
2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
CID 62639985
2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 43454307
2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
CID 115407635
2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 64596946
2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid
CID 68864170
2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 106048719

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide (CID 62951903) is 2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCCC(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide?
The InChIKey is YKNHRHOSXNDHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-13(2,3)9-10-15-11-7-5-6-8-12(11)18(16,17)14-4/h5-8,14-15H,9-10H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide?
2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 62951903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).