N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine

C10H19N3O2S — CID 79984944

IUPACN-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine
SMILESCCNCCc1cn(CCS(C)(=O)=O)cn1
InChIInChI=1S/C10H19N3O2S/c1-3-11-5-4-10-8-13(9-12-10)6-7-16(2,14)15/h8-9,11H,3-7H2,1-2H3
InChIKeyBNYZHTXILIQOMD-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.08
Rot. Bonds7

About N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine

N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine (PubChem CID 79984944) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine
PubChem CID79984944
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine
SMILESCCNCCc1cn(CCS(C)(=O)=O)cn1
InChIInChI=1S/C10H19N3O2S/c1-3-11-5-4-10-8-13(9-12-10)6-7-16(2,14)15/h8-9,11H,3-7H2,1-2H3
InChIKeyBNYZHTXILIQOMD-UHFFFAOYSA-N
XLogP0.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine (CID 79984944) is N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine is CCNCCc1cn(CCS(C)(=O)=O)cn1.
What is the InChIKey of N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine?
The InChIKey is BNYZHTXILIQOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-3-11-5-4-10-8-13(9-12-10)6-7-16(2,14)15/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine?
N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine has a molecular weight of 245.35 g/mol, XLogP of 0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 79984944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).