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

C10H19N3OS — CID 103090610

IUPAC5-amino-4-(3-methylsulfanylpropyl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCSCCCC1C(N)=NC(=O)N1C(C)C
InChIInChI=1S/C10H19N3OS/c1-7(2)13-8(5-4-6-15-3)9(11)12-10(13)14/h7-8H,4-6H2,1-3H3,(H2,11,12,14)
InChIKeyAUJMORNLFZIWSF-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.70
Rot. Bonds5

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

5-amino-4-(3-methylsulfanylpropyl)-3-propan-2-yl-4H-imidazol-2-one (PubChem CID 103090610) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 5-amino-4-(3-methylsulfanylpropyl)-3-propan-2-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-methylsulfanylpropyl)-3-propan-2-yl-4H-imidazol-2-one
PubChem CID103090610
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name5-amino-4-(3-methylsulfanylpropyl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCSCCCC1C(N)=NC(=O)N1C(C)C
InChIInChI=1S/C10H19N3OS/c1-7(2)13-8(5-4-6-15-3)9(11)12-10(13)14/h7-8H,4-6H2,1-3H3,(H2,11,12,14)
InChIKeyAUJMORNLFZIWSF-UHFFFAOYSA-N
XLogP1.70
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.70
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-4-(3-methylsulfanylpropyl)-3-propan-2-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-methylsulfanylpropyl)-3-propan-2-yl-4H-imidazol-2-one (CID 103090610) is 5-amino-4-(3-methylsulfanylpropyl)-3-propan-2-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-methylsulfanylpropyl)-3-propan-2-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-methylsulfanylpropyl)-3-propan-2-yl-4H-imidazol-2-one is CSCCCC1C(N)=NC(=O)N1C(C)C.
What is the InChIKey of 5-amino-4-(3-methylsulfanylpropyl)-3-propan-2-yl-4H-imidazol-2-one?
The InChIKey is AUJMORNLFZIWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-7(2)13-8(5-4-6-15-3)9(11)12-10(13)14/h7-8H,4-6H2,1-3H3,(H2,11,12,14).
What are the key properties of 5-amino-4-(3-methylsulfanylpropyl)-3-propan-2-yl-4H-imidazol-2-one?
5-amino-4-(3-methylsulfanylpropyl)-3-propan-2-yl-4H-imidazol-2-one has a molecular weight of 229.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methylsulfanylpropyl)-3-propan-2-yl-4H-imidazol-2-one is sourced from PubChem (CID 103090610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).