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

C9H17N3OS — CID 79968347

IUPAC5-amino-4-(2-methylsulfanylethyl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCSCCC1C(N)=NC(=O)N1C(C)C
InChIInChI=1S/C9H17N3OS/c1-6(2)12-7(4-5-14-3)8(10)11-9(12)13/h6-7H,4-5H2,1-3H3,(H2,10,11,13)
InChIKeyFJAGAJUMQQZOQK-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.31
Rot. Bonds4

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

5-amino-4-(2-methylsulfanylethyl)-3-propan-2-yl-4H-imidazol-2-one (PubChem CID 79968347) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-amino-4-(2-methylsulfanylethyl)-3-propan-2-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2-methylsulfanylethyl)-3-propan-2-yl-4H-imidazol-2-one
PubChem CID79968347
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name5-amino-4-(2-methylsulfanylethyl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCSCCC1C(N)=NC(=O)N1C(C)C
InChIInChI=1S/C9H17N3OS/c1-6(2)12-7(4-5-14-3)8(10)11-9(12)13/h6-7H,4-5H2,1-3H3,(H2,10,11,13)
InChIKeyFJAGAJUMQQZOQK-UHFFFAOYSA-N
XLogP1.31
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-4-(2-methylsulfanylethyl)-3-propan-2-yl-4H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-methylsulfanylethyl)-3-propan-2-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2-methylsulfanylethyl)-3-propan-2-yl-4H-imidazol-2-one (CID 79968347) is 5-amino-4-(2-methylsulfanylethyl)-3-propan-2-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2-methylsulfanylethyl)-3-propan-2-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2-methylsulfanylethyl)-3-propan-2-yl-4H-imidazol-2-one is CSCCC1C(N)=NC(=O)N1C(C)C.
What is the InChIKey of 5-amino-4-(2-methylsulfanylethyl)-3-propan-2-yl-4H-imidazol-2-one?
The InChIKey is FJAGAJUMQQZOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-6(2)12-7(4-5-14-3)8(10)11-9(12)13/h6-7H,4-5H2,1-3H3,(H2,10,11,13).
What are the key properties of 5-amino-4-(2-methylsulfanylethyl)-3-propan-2-yl-4H-imidazol-2-one?
5-amino-4-(2-methylsulfanylethyl)-3-propan-2-yl-4H-imidazol-2-one has a molecular weight of 215.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-methylsulfanylethyl)-3-propan-2-yl-4H-imidazol-2-one is sourced from PubChem (CID 79968347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).