2-ethylsulfonyl-3-methylimidazol-4-amine

C6H11N3O2S — CID 117190426

IUPAC2-ethylsulfonyl-3-methylimidazol-4-amine
SMILESCCS(=O)(=O)c1ncc(N)n1C
InChIInChI=1S/C6H11N3O2S/c1-3-12(10,11)6-8-4-5(7)9(6)2/h4H,3,7H2,1-2H3
InChIKeyVQLATHDOTMASPV-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.20
Rot. Bonds2

About 2-ethylsulfonyl-3-methylimidazol-4-amine

2-ethylsulfonyl-3-methylimidazol-4-amine (PubChem CID 117190426) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-ethylsulfonyl-3-methylimidazol-4-amine.

Molecular Properties

Compound Name2-ethylsulfonyl-3-methylimidazol-4-amine
PubChem CID117190426
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name2-ethylsulfonyl-3-methylimidazol-4-amine
SMILESCCS(=O)(=O)c1ncc(N)n1C
InChIInChI=1S/C6H11N3O2S/c1-3-12(10,11)6-8-4-5(7)9(6)2/h4H,3,7H2,1-2H3
InChIKeyVQLATHDOTMASPV-UHFFFAOYSA-N
XLogP-0.20
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-3-methylimidazol-4-amine
CID 142495641
2-butyl-3-methylimidazol-4-amine
CID 18793825
2-butyl-3-methylimidazol-4-amine;hydrochloride
CID 140989988
3-ethylsulfonyl-4-methyl-1H-1,2,4-triazol-5-one
CID 130614632
3-ethylsulfonyl-1-methyl-1,2,4-triazole
CID 58381593
[2-[(6-ethoxy-2-pyridinyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol
CID 86787993
(5-amino-1-ethylimidazol-2-yl)methanethiol
CID 117188798
2-ethylsulfonylpyrimidin-5-ol
CID 75480817
1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 56707479
ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
CID 10589188
(2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol
CID 124611667
N-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 25286988

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-3-methylimidazol-4-amine?
The IUPAC name of 2-ethylsulfonyl-3-methylimidazol-4-amine (CID 117190426) is 2-ethylsulfonyl-3-methylimidazol-4-amine.
What is the SMILES notation for 2-ethylsulfonyl-3-methylimidazol-4-amine?
The canonical SMILES for 2-ethylsulfonyl-3-methylimidazol-4-amine is CCS(=O)(=O)c1ncc(N)n1C.
What is the InChIKey of 2-ethylsulfonyl-3-methylimidazol-4-amine?
The InChIKey is VQLATHDOTMASPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-3-12(10,11)6-8-4-5(7)9(6)2/h4H,3,7H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-3-methylimidazol-4-amine?
2-ethylsulfonyl-3-methylimidazol-4-amine has a molecular weight of 189.24 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-3-methylimidazol-4-amine is sourced from PubChem (CID 117190426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).