1-tert-butyl-3-propyl-2-sulfanylideneimidazolidine-4,5-dione

C10H16N2O2S — CID 167416090

IUPAC1-tert-butyl-3-propyl-2-sulfanylideneimidazolidine-4,5-dione
SMILESCCCN1C(=O)C(=O)N(C(C)(C)C)C1=S
InChIInChI=1S/C10H16N2O2S/c1-5-6-11-7(13)8(14)12(9(11)15)10(2,3)4/h5-6H2,1-4H3
InChIKeyWGXANTUTYGHFJB-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.15
Rot. Bonds2

About 1-tert-butyl-3-propyl-2-sulfanylideneimidazolidine-4,5-dione

1-tert-butyl-3-propyl-2-sulfanylideneimidazolidine-4,5-dione (PubChem CID 167416090) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-tert-butyl-3-propyl-2-sulfanylideneimidazolidine-4,5-dione.

Molecular Properties

Compound Name1-tert-butyl-3-propyl-2-sulfanylideneimidazolidine-4,5-dione
PubChem CID167416090
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-tert-butyl-3-propyl-2-sulfanylideneimidazolidine-4,5-dione
SMILESCCCN1C(=O)C(=O)N(C(C)(C)C)C1=S
InChIInChI=1S/C10H16N2O2S/c1-5-6-11-7(13)8(14)12(9(11)15)10(2,3)4/h5-6H2,1-4H3
InChIKeyWGXANTUTYGHFJB-UHFFFAOYSA-N
XLogP1.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-propyl-2-sulfanylideneimidazolidine-4,5-dione?
The IUPAC name of 1-tert-butyl-3-propyl-2-sulfanylideneimidazolidine-4,5-dione (CID 167416090) is 1-tert-butyl-3-propyl-2-sulfanylideneimidazolidine-4,5-dione.
What is the SMILES notation for 1-tert-butyl-3-propyl-2-sulfanylideneimidazolidine-4,5-dione?
The canonical SMILES for 1-tert-butyl-3-propyl-2-sulfanylideneimidazolidine-4,5-dione is CCCN1C(=O)C(=O)N(C(C)(C)C)C1=S.
What is the InChIKey of 1-tert-butyl-3-propyl-2-sulfanylideneimidazolidine-4,5-dione?
The InChIKey is WGXANTUTYGHFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-5-6-11-7(13)8(14)12(9(11)15)10(2,3)4/h5-6H2,1-4H3.
What are the key properties of 1-tert-butyl-3-propyl-2-sulfanylideneimidazolidine-4,5-dione?
1-tert-butyl-3-propyl-2-sulfanylideneimidazolidine-4,5-dione has a molecular weight of 228.32 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-propyl-2-sulfanylideneimidazolidine-4,5-dione is sourced from PubChem (CID 167416090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).