N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide

C14H24N2O2S — CID 63767520

IUPACN-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide
SMILESCCCCN(CCN)S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H24N2O2S/c1-4-5-9-16(10-8-15)19(17,18)14-7-6-12(2)11-13(14)3/h6-7,11H,4-5,8-10,15H2,1-3H3
InChIKeyDGBHBTGHEORUBQ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.05
Rot. Bonds7

About N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide

N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide (PubChem CID 63767520) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide
PubChem CID63767520
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide
SMILESCCCCN(CCN)S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H24N2O2S/c1-4-5-9-16(10-8-15)19(17,18)14-7-6-12(2)11-13(14)3/h6-7,11H,4-5,8-10,15H2,1-3H3
InChIKeyDGBHBTGHEORUBQ-UHFFFAOYSA-N
XLogP2.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-N-butyl-2,4-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-ethyl-2,4-dimethylbenzenesulfonamide
CID 28707755
4-(aminomethyl)-N,N-dibutyl-2-methylbenzenesulfonamide
CID 106996655
4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
CID 43258806
N-(2-bromoethyl)-2,4-dimethyl-N-propylbenzenesulfonamide
CID 80672779
N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 114231124
N-butyl-2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934409
2-[(2,4-dimethylphenyl)sulfonyl-ethylamino]acetic acid
CID 54900564
3-[(2,4-dimethylphenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 76910468
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
4-amino-N-butyl-N,2-dimethylbenzenesulfonamide
CID 43258018
2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 61217446
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide (CID 63767520) is N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide is CCCCN(CCN)S(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide?
The InChIKey is DGBHBTGHEORUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-5-9-16(10-8-15)19(17,18)14-7-6-12(2)11-13(14)3/h6-7,11H,4-5,8-10,15H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide?
N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 63767520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).