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

C13H22N2O2S — CID 64596946

IUPAC2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCC(C)C(C)C
InChIInChI=1S/C13H22N2O2S/c1-10(2)11(3)9-15-12-7-5-6-8-13(12)18(16,17)14-4/h5-8,10-11,14-15H,9H2,1-4H3
InChIKeyULSBMJQEWLQMQY-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.30
Rot. Bonds6

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

2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide (PubChem CID 64596946) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
PubChem CID64596946
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCC(C)C(C)C
InChIInChI=1S/C13H22N2O2S/c1-10(2)11(3)9-15-12-7-5-6-8-13(12)18(16,17)14-4/h5-8,10-11,14-15H,9H2,1-4H3
InChIKeyULSBMJQEWLQMQY-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441821
N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282668
2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
CID 115407635
2-(2-methoxypropylamino)-N-methylbenzenesulfonamide
CID 102698834
2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 66106821
N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
CID 43749839
2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide
CID 106287402
2-[[2-(methylsulfamoyl)anilino]methyl]butanoic acid
CID 65226875
N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide
CID 62994735
2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide
CID 43567944
2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903
2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
CID 112674946

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide (CID 64596946) is 2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCC(C)C(C)C.
What is the InChIKey of 2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide?
The InChIKey is ULSBMJQEWLQMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10(2)11(3)9-15-12-7-5-6-8-13(12)18(16,17)14-4/h5-8,10-11,14-15H,9H2,1-4H3.
What are the key properties of 2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide?
2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 64596946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).