N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine

C10H19N3O2S — CID 103913887

IUPACN-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
SMILESCCS(=O)(=O)CCNC(C)c1nccn1C
InChIInChI=1S/C10H19N3O2S/c1-4-16(14,15)8-6-11-9(2)10-12-5-7-13(10)3/h5,7,9,11H,4,6,8H2,1-3H3
InChIKeyLMEPPQMYPMYTMZ-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.51
Rot. Bonds6

About N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine

N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 103913887) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID103913887
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
SMILESCCS(=O)(=O)CCNC(C)c1nccn1C
InChIInChI=1S/C10H19N3O2S/c1-4-16(14,15)8-6-11-9(2)10-12-5-7-13(10)3/h5,7,9,11H,4,6,8H2,1-3H3
InChIKeyLMEPPQMYPMYTMZ-UHFFFAOYSA-N
XLogP0.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)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

N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide
CID 106335969
N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115901512
5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide
CID 106234642
4,4,4-trifluoro-N-[1-(1-methylimidazol-2-yl)ethyl]butan-1-amine
CID 115516455
N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine
CID 103914331
(1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide
CID 97177613
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045
N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide
CID 71635426
tert-butyl N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913862
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
CID 65097353
(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 95359172
1-(1-methylimidazol-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682912

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine (CID 103913887) is N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine is CCS(=O)(=O)CCNC(C)c1nccn1C.
What is the InChIKey of N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is LMEPPQMYPMYTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-4-16(14,15)8-6-11-9(2)10-12-5-7-13(10)3/h5,7,9,11H,4,6,8H2,1-3H3.
What are the key properties of N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine?
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 245.35 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 103913887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).