N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide

C13H22N2O2S — CID 63202014

IUPACN,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide
SMILESCCC(Cc1ccccc1S(=O)(=O)N(C)C)NC
InChIInChI=1S/C13H22N2O2S/c1-5-12(14-2)10-11-8-6-7-9-13(11)18(16,17)15(3)4/h6-9,12,14H,5,10H2,1-4H3
InChIKeyHFZNEXPFRHUHDX-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.48
Rot. Bonds6

About N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide

N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide (PubChem CID 63202014) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide
PubChem CID63202014
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide
SMILESCCC(Cc1ccccc1S(=O)(=O)N(C)C)NC
InChIInChI=1S/C13H22N2O2S/c1-5-12(14-2)10-11-8-6-7-9-13(11)18(16,17)15(3)4/h6-9,12,14H,5,10H2,1-4H3
InChIKeyHFZNEXPFRHUHDX-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylphenyl)butan-2-amine
CID 60820425
2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 62119140
2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide
CID 55201286
N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine
CID 63199979
2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide
CID 63198745
1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine
CID 63199723
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103188525
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-ethylbutyl)-2-methylguanidine
CID 111891219
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 110914553
2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide
CID 55904290
N,N-dimethyl-2-[(3-phenylbutylamino)methyl]benzenesulfonamide
CID 119142078
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide (CID 63202014) is N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide is CCC(Cc1ccccc1S(=O)(=O)N(C)C)NC.
What is the InChIKey of N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide?
The InChIKey is HFZNEXPFRHUHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-12(14-2)10-11-8-6-7-9-13(11)18(16,17)15(3)4/h6-9,12,14H,5,10H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide?
N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide is sourced from PubChem (CID 63202014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).