2-(2-methoxypropylamino)-N-methylbenzenesulfonamide

C11H18N2O3S — CID 102698834

IUPAC2-(2-methoxypropylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCC(C)OC
InChIInChI=1S/C11H18N2O3S/c1-9(16-3)8-13-10-6-4-5-7-11(10)17(14,15)12-2/h4-7,9,12-13H,8H2,1-3H3
InChIKeyNKQRTKPNCZKRLX-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.04
Rot. Bonds6

About 2-(2-methoxypropylamino)-N-methylbenzenesulfonamide

2-(2-methoxypropylamino)-N-methylbenzenesulfonamide (PubChem CID 102698834) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(2-methoxypropylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-methoxypropylamino)-N-methylbenzenesulfonamide
PubChem CID102698834
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-(2-methoxypropylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCC(C)OC
InChIInChI=1S/C11H18N2O3S/c1-9(16-3)8-13-10-6-4-5-7-11(10)17(14,15)12-2/h4-7,9,12-13H,8H2,1-3H3
InChIKeyNKQRTKPNCZKRLX-UHFFFAOYSA-N
XLogP1.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxypropylamino)-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 64596946
N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282668
2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
CID 115407635
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441821
2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 66106821
N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
CID 43749839
2-(2-methoxyethylamino)-N-methylbenzenesulfonamide
CID 43454289
2-(methoxyamino)-N-methylbenzenesulfonamide
CID 23002402
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(2-methoxypropylamino)-N-methylbenzenesulfonamide (CID 102698834) is 2-(2-methoxypropylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(2-methoxypropylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(2-methoxypropylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCC(C)OC.
What is the InChIKey of 2-(2-methoxypropylamino)-N-methylbenzenesulfonamide?
The InChIKey is NKQRTKPNCZKRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-9(16-3)8-13-10-6-4-5-7-11(10)17(14,15)12-2/h4-7,9,12-13H,8H2,1-3H3.
What are the key properties of 2-(2-methoxypropylamino)-N-methylbenzenesulfonamide?
2-(2-methoxypropylamino)-N-methylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 102698834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).