2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine

C10H19N3S — CID 71908436

IUPAC2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCSCCN(C)Cc1nccn1C
InChIInChI=1S/C10H19N3S/c1-4-14-8-7-12(2)9-10-11-5-6-13(10)3/h5-6H,4,7-9H2,1-3H3
InChIKeyGWEVLXWZJBHODL-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.61
Rot. Bonds6

About 2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine

2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 71908436) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID71908436
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCSCCN(C)Cc1nccn1C
InChIInChI=1S/C10H19N3S/c1-4-14-8-7-12(2)9-10-11-5-6-13(10)3/h5-6H,4,7-9H2,1-3H3
InChIKeyGWEVLXWZJBHODL-UHFFFAOYSA-N
XLogP1.61
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]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

1,2-Dimethylimidazole
CID 15617
1-Butyl-2,3-dimethylimidazolium chloride
CID 2734167
1,2-Dimethyl-3-propylimidazolium Iodide
CID 11459786
1-Butyl-2-methyl-1H-imidazole
CID 304622
1-Ethyl-1H-imidazole
CID 81540
1H-Imidazole, 1-ethenyl-2-methyl-
CID 76109
1-Butyl-2,3-dimethylimidazolium bromide
CID 2734241
1-Ethyl-3-methylimidazolium thiocyanate
CID 16211115
Methimazole methyl sulfide
CID 581856
N-Ethyl-2-methylimidazole
CID 519846
1-Butyl-2,3-dimethylimidazolium iodide
CID 11832800
1-Ethyl-2,3-dimethylimidazolium chloride
CID 2734165

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 71908436) is 2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine is CCSCCN(C)Cc1nccn1C.
What is the InChIKey of 2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is GWEVLXWZJBHODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-14-8-7-12(2)9-10-11-5-6-13(10)3/h5-6H,4,7-9H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 213.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 71908436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).