2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine

C8H15N3O2S — CID 81175865

IUPAC2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine
SMILESCc1nccn1CCS(=O)(=O)CCN
InChIInChI=1S/C8H15N3O2S/c1-8-10-3-4-11(8)5-7-14(12,13)6-2-9/h3-4H,2,5-7,9H2,1H3
InChIKeyAAZDPUMVWVFJIM-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.43
Rot. Bonds5

About 2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine

2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine (PubChem CID 81175865) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine
PubChem CID81175865
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine
SMILESCc1nccn1CCS(=O)(=O)CCN
InChIInChI=1S/C8H15N3O2S/c1-8-10-3-4-11(8)5-7-14(12,13)6-2-9/h3-4H,2,5-7,9H2,1H3
InChIKeyAAZDPUMVWVFJIM-UHFFFAOYSA-N
XLogP-0.43
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine 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

3-[2-(2-methylimidazol-1-yl)ethylsulfonyl]propanoic acid
CID 61493428
2-methyl-1-(3-methylsulfonylpropyl)imidazole
CID 63239256
4-(2-methylimidazol-1-yl)butane-1-sulfonic acid
CID 71342023
2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]propanoic acid
CID 61493387
4-methyl-3-[2-(2-methylimidazol-1-yl)ethylsulfonyl]aniline
CID 81190535
4-[2-(2-methylimidazol-1-yl)ethylsulfonyl]benzonitrile
CID 79506485
2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]butanoic acid
CID 105354331
3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273
1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine
CID 165473501
ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine
CID 155737124
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
1-ethyl-2-methylimidazole;sulfuric acid
CID 174953824

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine?
The IUPAC name of 2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine (CID 81175865) is 2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine.
What is the SMILES notation for 2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine?
The canonical SMILES for 2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine is Cc1nccn1CCS(=O)(=O)CCN.
What is the InChIKey of 2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine?
The InChIKey is AAZDPUMVWVFJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-8-10-3-4-11(8)5-7-14(12,13)6-2-9/h3-4H,2,5-7,9H2,1H3.
What are the key properties of 2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine?
2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine has a molecular weight of 217.29 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine is sourced from PubChem (CID 81175865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).