methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate

C10H18N4O4S — CID 106338365

IUPACmethyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(CCCNS(C)(=O)=O)c1N
InChIInChI=1S/C10H18N4O4S/c1-7-13-8(10(15)18-2)9(11)14(7)6-4-5-12-19(3,16)17/h12H,4-6,11H2,1-3H3
InChIKeyMZQIOXVVHMSXAR-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.50
Rot. Bonds6

About methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate

methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate (PubChem CID 106338365) has the molecular formula C10H18N4O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate
PubChem CID106338365
Molecular FormulaC10H18N4O4S
Molecular Weight290.34 g/mol
Exact Mass290.10
IUPAC Namemethyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(CCCNS(C)(=O)=O)c1N
InChIInChI=1S/C10H18N4O4S/c1-7-13-8(10(15)18-2)9(11)14(7)6-4-5-12-19(3,16)17/h12H,4-6,11H2,1-3H3
InChIKeyMZQIOXVVHMSXAR-UHFFFAOYSA-N
XLogP-0.50
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate
CID 103545530
methyl 5-amino-2-methyl-1-[(E)-pent-3-enyl]imidazole-4-carboxylate
CID 103546104
methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544391
methyl 5-amino-1-[3-(ethylamino)-3-oxopropyl]-2-methylimidazole-4-carboxylate
CID 103546031
methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate
CID 114162703
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544847
methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
CID 103545822
methyl 5-amino-1-[2-(5-bromothiophen-2-yl)ethyl]-2-methylimidazole-4-carboxylate
CID 106039173
methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate
CID 103545463
methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
CID 103544856
N-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide
CID 106338980
methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate
CID 103546153

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate (CID 106338365) is methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate is COC(=O)c1nc(C)n(CCCNS(C)(=O)=O)c1N.
What is the InChIKey of methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate?
The InChIKey is MZQIOXVVHMSXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-7-13-8(10(15)18-2)9(11)14(7)6-4-5-12-19(3,16)17/h12H,4-6,11H2,1-3H3.
What are the key properties of methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate?
methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate has a molecular weight of 290.34 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 106338365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).