N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine

C10H19N3OS — CID 106581055

IUPACN-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
SMILESCCNc1nc(C)cn1CC(C)S(C)=O
InChIInChI=1S/C10H19N3OS/c1-5-11-10-12-8(2)6-13(10)7-9(3)15(4)14/h6,9H,5,7H2,1-4H3,(H,11,12)
InChIKeyDXQNWUZOEFBLEG-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.39
Rot. Bonds5

About N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine

N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine (PubChem CID 106581055) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
PubChem CID106581055
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
SMILESCCNc1nc(C)cn1CC(C)S(C)=O
InChIInChI=1S/C10H19N3OS/c1-5-11-10-12-8(2)6-13(10)7-9(3)15(4)14/h6,9H,5,7H2,1-4H3,(H,11,12)
InChIKeyDXQNWUZOEFBLEG-UHFFFAOYSA-N
XLogP1.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine (CID 106581055) is N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine is CCNc1nc(C)cn1CC(C)S(C)=O.
What is the InChIKey of N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine?
The InChIKey is DXQNWUZOEFBLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-5-11-10-12-8(2)6-13(10)7-9(3)15(4)14/h6,9H,5,7H2,1-4H3,(H,11,12).
What are the key properties of N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine?
N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine has a molecular weight of 229.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine is sourced from PubChem (CID 106581055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).