2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine

C10H19N3O2S — CID 79983250

IUPAC2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine
SMILESCCS(=O)(=O)CCCn1cnc(CCN)c1
InChIInChI=1S/C10H19N3O2S/c1-2-16(14,15)7-3-6-13-8-10(4-5-11)12-9-13/h8-9H,2-7,11H2,1H3
InChIKeyUIJADCUPXWXAFD-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.21
Rot. Bonds7

About 2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine

2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine (PubChem CID 79983250) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine
PubChem CID79983250
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine
SMILESCCS(=O)(=O)CCCn1cnc(CCN)c1
InChIInChI=1S/C10H19N3O2S/c1-2-16(14,15)7-3-6-13-8-10(4-5-11)12-9-13/h8-9H,2-7,11H2,1H3
InChIKeyUIJADCUPXWXAFD-UHFFFAOYSA-N
XLogP0.21
TPSA77.98 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 ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine
CID 106718001
2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine
CID 104649116
2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride
CID 122129869
N-ethyl-2-[1-(2-ethylsulfonylethyl)imidazol-4-yl]ethanamine
CID 106729436
ethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate
CID 70612970
N-[[1-(3-ethylsulfonylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720370
2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine
CID 103412214
(1-butylimidazol-4-yl)methanamine
CID 82467842
2-(1-but-3-ynylimidazol-4-yl)ethanamine
CID 79982811
[4-(2-aminoethyl)imidazol-1-yl]methanol
CID 175329760
2-[1-(methoxymethyl)imidazol-4-yl]ethanamine
CID 106720976
2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine
CID 96663652

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine (CID 79983250) is 2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine is CCS(=O)(=O)CCCn1cnc(CCN)c1.
What is the InChIKey of 2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine?
The InChIKey is UIJADCUPXWXAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-2-16(14,15)7-3-6-13-8-10(4-5-11)12-9-13/h8-9H,2-7,11H2,1H3.
What are the key properties of 2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine?
2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine has a molecular weight of 245.35 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 79983250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).