N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide

C10H16N2O2S — CID 28707580

IUPACN-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)CCN)c1
InChIInChI=1S/C10H16N2O2S/c1-9-4-3-5-10(8-9)15(13,14)12(2)7-6-11/h3-5,8H,6-7,11H2,1-2H3
InChIKeyZPIHQTFSUANING-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.57
Rot. Bonds4

About N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide

N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide (PubChem CID 28707580) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
PubChem CID28707580
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)CCN)c1
InChIInChI=1S/C10H16N2O2S/c1-9-4-3-5-10(8-9)15(13,14)12(2)7-6-11/h3-5,8H,6-7,11H2,1-2H3
InChIKeyZPIHQTFSUANING-UHFFFAOYSA-N
XLogP0.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide 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

N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide
CID 62685886
N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
CID 62335007
N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide
CID 28708333
N,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide
CID 60914377
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944
N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 62685889
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348924
N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055948
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 65486467
3-methylbenzenesulfonamide
CID 69347063
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide (CID 28707580) is N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(C)CCN)c1.
What is the InChIKey of N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide?
The InChIKey is ZPIHQTFSUANING-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-9-4-3-5-10(8-9)15(13,14)12(2)7-6-11/h3-5,8H,6-7,11H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide?
N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 28707580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).