1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione

C11H20N2O2S — CID 87234060

IUPAC1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCCCCN1C(=O)N(CC)C(=O)C1(C)CS
InChIInChI=1S/C11H20N2O2S/c1-4-6-7-13-10(15)12(5-2)9(14)11(13,3)8-16/h16H,4-8H2,1-3H3
InChIKeySUNCFXFMYQRKSA-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.76
Rot. Bonds5

About 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione

1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione (PubChem CID 87234060) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
PubChem CID87234060
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCCCCN1C(=O)N(CC)C(=O)C1(C)CS
InChIInChI=1S/C11H20N2O2S/c1-4-6-7-13-10(15)12(5-2)9(14)11(13,3)8-16/h16H,4-8H2,1-3H3
InChIKeySUNCFXFMYQRKSA-UHFFFAOYSA-N
XLogP1.76
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione 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 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione (CID 87234060) is 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione is CCCCN1C(=O)N(CC)C(=O)C1(C)CS.
What is the InChIKey of 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The InChIKey is SUNCFXFMYQRKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-6-7-13-10(15)12(5-2)9(14)11(13,3)8-16/h16H,4-8H2,1-3H3.
What are the key properties of 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione has a molecular weight of 244.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 87234060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).