2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide

C12H21N3O2S — CID 102359293

IUPAC2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide
SMILESCc1ccc(CNS(=O)(=O)CCNCCN)cc1
InChIInChI=1S/C12H21N3O2S/c1-11-2-4-12(5-3-11)10-15-18(16,17)9-8-14-7-6-13/h2-5,14-15H,6-10,13H2,1H3
InChIKeyFEJPCRBUAHMGDZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP-0.04
Rot. Bonds8

About 2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide

2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide (PubChem CID 102359293) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide
PubChem CID102359293
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide
SMILESCc1ccc(CNS(=O)(=O)CCNCCN)cc1
InChIInChI=1S/C12H21N3O2S/c1-11-2-4-12(5-3-11)10-15-18(16,17)9-8-14-7-6-13/h2-5,14-15H,6-10,13H2,1H3
InChIKeyFEJPCRBUAHMGDZ-UHFFFAOYSA-N
XLogP-0.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide 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-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
4-[(4-methylphenyl)methylsulfamoyl]butanoic acid
CID 28513518
1-methyl-4-[(sulfamoylamino)methyl]benzene
CID 21041221
N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
CID 54973910
N-[(4-methoxyphenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106058738
4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide
CID 60910335
3-[(4-methylphenyl)methylamino]propane-1-sulfonic acid
CID 11976877
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride
CID 174270268
3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide
CID 106088955
N,N-dimethyl-2-[(4-methylphenyl)methylamino]ethanesulfonamide
CID 106335849
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide?
The IUPAC name of 2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide (CID 102359293) is 2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide is Cc1ccc(CNS(=O)(=O)CCNCCN)cc1.
What is the InChIKey of 2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide?
The InChIKey is FEJPCRBUAHMGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-11-2-4-12(5-3-11)10-15-18(16,17)9-8-14-7-6-13/h2-5,14-15H,6-10,13H2,1H3.
What are the key properties of 2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide?
2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide has a molecular weight of 271.39 g/mol, XLogP of -0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 102359293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).