methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate

C10H17N3O3S — CID 103546145

IUPACmethyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1CCS(C)=O
InChIInChI=1S/C10H17N3O3S/c1-4-7-12-8(10(14)16-2)9(11)13(7)5-6-17(3)15/h4-6,11H2,1-3H3
InChIKeyORRQYSOFERVIJC-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.19
Rot. Bonds5

About methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate

methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate (PubChem CID 103546145) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
PubChem CID103546145
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Namemethyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1CCS(C)=O
InChIInChI=1S/C10H17N3O3S/c1-4-7-12-8(10(14)16-2)9(11)13(7)5-6-17(3)15/h4-6,11H2,1-3H3
InChIKeyORRQYSOFERVIJC-UHFFFAOYSA-N
XLogP0.19
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
CID 103544856
methyl 5-amino-2-ethyl-1-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxylate
CID 103546091
methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate
CID 103546153
methyl 5-amino-2-ethyl-1-(3-methylsulfanylbutyl)imidazole-4-carboxylate
CID 103546188
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613
methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate
CID 103544322
methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
CID 103545625
methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate
CID 103544811
methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate
CID 107853736
methyl 5-amino-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)imidazole-4-carboxylate
CID 106294832
methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate
CID 103545137
methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 103545998

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate (CID 103546145) is methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1CCS(C)=O.
What is the InChIKey of methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate?
The InChIKey is ORRQYSOFERVIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-4-7-12-8(10(14)16-2)9(11)13(7)5-6-17(3)15/h4-6,11H2,1-3H3.
What are the key properties of methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate?
methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate has a molecular weight of 259.33 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate is sourced from PubChem (CID 103546145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).