1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide

C11H20N4O2S — CID 107499759

IUPAC1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide
SMILESCC(CCNC(=O)c1cn(CCN)cn1)S(C)=O
InChIInChI=1S/C11H20N4O2S/c1-9(18(2)17)3-5-13-11(16)10-7-15(6-4-12)8-14-10/h7-9H,3-6,12H2,1-2H3,(H,13,16)
InChIKeyCHMVOMMXDCIRRY-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.27
Rot. Bonds7

About 1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide (PubChem CID 107499759) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide
PubChem CID107499759
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide
SMILESCC(CCNC(=O)c1cn(CCN)cn1)S(C)=O
InChIInChI=1S/C11H20N4O2S/c1-9(18(2)17)3-5-13-11(16)10-7-15(6-4-12)8-14-10/h7-9H,3-6,12H2,1-2H3,(H,13,16)
InChIKeyCHMVOMMXDCIRRY-UHFFFAOYSA-N
XLogP-0.27
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
CID 107496025
1-(2-aminoethyl)-N-(2-pyrrol-1-ylethyl)imidazole-4-carboxamide
CID 106391058
1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide
CID 107499654
1-(2-aminoethyl)-N-(3-methylsulfonylpropyl)imidazole-4-carboxamide
CID 107497378
1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide
CID 107498305
1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide
CID 107498083
1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide
CID 106336759
1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide
CID 106325265
4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid
CID 107498788
1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide
CID 107499702
1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
CID 107499699
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-hydroxypropanoic acid
CID 107499094

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide (CID 107499759) is 1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide is CC(CCNC(=O)c1cn(CCN)cn1)S(C)=O.
What is the InChIKey of 1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide?
The InChIKey is CHMVOMMXDCIRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9(18(2)17)3-5-13-11(16)10-7-15(6-4-12)8-14-10/h7-9H,3-6,12H2,1-2H3,(H,13,16).
What are the key properties of 1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide has a molecular weight of 272.37 g/mol, XLogP of -0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide is sourced from PubChem (CID 107499759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).