5-amino-3-methyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one

C8H15N3OS — CID 103090607

IUPAC5-amino-3-methyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one
SMILESCSCCCC1C(N)=NC(=O)N1C
InChIInChI=1S/C8H15N3OS/c1-11-6(4-3-5-13-2)7(9)10-8(11)12/h6H,3-5H2,1-2H3,(H2,9,10,12)
InChIKeyKOOROCOMYIHIGW-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.92
Rot. Bonds4

About 5-amino-3-methyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one

5-amino-3-methyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one (PubChem CID 103090607) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-amino-3-methyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-methyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one
PubChem CID103090607
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name5-amino-3-methyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one
SMILESCSCCCC1C(N)=NC(=O)N1C
InChIInChI=1S/C8H15N3OS/c1-11-6(4-3-5-13-2)7(9)10-8(11)12/h6H,3-5H2,1-2H3,(H2,9,10,12)
InChIKeyKOOROCOMYIHIGW-UHFFFAOYSA-N
XLogP0.92
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-amino-3-methyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-methyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one (CID 103090607) is 5-amino-3-methyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-methyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-methyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one is CSCCCC1C(N)=NC(=O)N1C.
What is the InChIKey of 5-amino-3-methyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one?
The InChIKey is KOOROCOMYIHIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-11-6(4-3-5-13-2)7(9)10-8(11)12/h6H,3-5H2,1-2H3,(H2,9,10,12).
What are the key properties of 5-amino-3-methyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one?
5-amino-3-methyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one has a molecular weight of 201.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one is sourced from PubChem (CID 103090607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).