N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine

C12H23N3O2S — CID 106580263

IUPACN-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine
SMILESCOCCNc1nc(C)cn1CCC(C)S(C)=O
InChIInChI=1S/C12H23N3O2S/c1-10-9-15(7-5-11(2)18(4)16)12(14-10)13-6-8-17-3/h9,11H,5-8H2,1-4H3,(H,13,14)
InChIKeyVOKDLXSACSNJGC-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.41
Rot. Bonds8

About N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine

N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine (PubChem CID 106580263) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine
PubChem CID106580263
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine
SMILESCOCCNc1nc(C)cn1CCC(C)S(C)=O
InChIInChI=1S/C12H23N3O2S/c1-10-9-15(7-5-11(2)18(4)16)12(14-10)13-6-8-17-3/h9,11H,5-8H2,1-4H3,(H,13,14)
InChIKeyVOKDLXSACSNJGC-UHFFFAOYSA-N
XLogP1.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine (CID 106580263) is N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine is COCCNc1nc(C)cn1CCC(C)S(C)=O.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine?
The InChIKey is VOKDLXSACSNJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-10-9-15(7-5-11(2)18(4)16)12(14-10)13-6-8-17-3/h9,11H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine?
N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine has a molecular weight of 273.40 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine is sourced from PubChem (CID 106580263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).