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

C10H17N3OS — CID 103090604

IUPAC5-amino-3-cyclopropyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one
SMILESCSCCCC1C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C10H17N3OS/c1-15-6-2-3-8-9(11)12-10(14)13(8)7-4-5-7/h7-8H,2-6H2,1H3,(H2,11,12,14)
InChIKeyMUBRHXPIOXDRIU-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.45
Rot. Bonds5

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

5-amino-3-cyclopropyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one (PubChem CID 103090604) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 5-amino-3-cyclopropyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-cyclopropyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one
PubChem CID103090604
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name5-amino-3-cyclopropyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one
SMILESCSCCCC1C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C10H17N3OS/c1-15-6-2-3-8-9(11)12-10(14)13(8)7-4-5-7/h7-8H,2-6H2,1H3,(H2,11,12,14)
InChIKeyMUBRHXPIOXDRIU-UHFFFAOYSA-N
XLogP1.45
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.45
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-cyclopropyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-cyclopropyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one (CID 103090604) is 5-amino-3-cyclopropyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-cyclopropyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-cyclopropyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one is CSCCCC1C(N)=NC(=O)N1C1CC1.
What is the InChIKey of 5-amino-3-cyclopropyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one?
The InChIKey is MUBRHXPIOXDRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-15-6-2-3-8-9(11)12-10(14)13(8)7-4-5-7/h7-8H,2-6H2,1H3,(H2,11,12,14).
What are the key properties of 5-amino-3-cyclopropyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one?
5-amino-3-cyclopropyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one has a molecular weight of 227.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclopropyl-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one is sourced from PubChem (CID 103090604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).