1-(2-sulfanylpropan-2-yl)imidazolidine-2,4-dione

C6H10N2O2S — CID 23024711

IUPAC1-(2-sulfanylpropan-2-yl)imidazolidine-2,4-dione
SMILESCC(C)(S)N1CC(=O)NC1=O
InChIInChI=1S/C6H10N2O2S/c1-6(2,11)8-3-4(9)7-5(8)10/h11H,3H2,1-2H3,(H,7,9,10)
InChIKeyAPQQJKSLUQUBGQ-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.20
Rot. Bonds1

About 1-(2-sulfanylpropan-2-yl)imidazolidine-2,4-dione

1-(2-sulfanylpropan-2-yl)imidazolidine-2,4-dione (PubChem CID 23024711) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-(2-sulfanylpropan-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-sulfanylpropan-2-yl)imidazolidine-2,4-dione
PubChem CID23024711
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name1-(2-sulfanylpropan-2-yl)imidazolidine-2,4-dione
SMILESCC(C)(S)N1CC(=O)NC1=O
InChIInChI=1S/C6H10N2O2S/c1-6(2,11)8-3-4(9)7-5(8)10/h11H,3H2,1-2H3,(H,7,9,10)
InChIKeyAPQQJKSLUQUBGQ-UHFFFAOYSA-N
XLogP0.20
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfanylpropan-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 1-(2-sulfanylpropan-2-yl)imidazolidine-2,4-dione (CID 23024711) is 1-(2-sulfanylpropan-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2-sulfanylpropan-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(2-sulfanylpropan-2-yl)imidazolidine-2,4-dione is CC(C)(S)N1CC(=O)NC1=O.
What is the InChIKey of 1-(2-sulfanylpropan-2-yl)imidazolidine-2,4-dione?
The InChIKey is APQQJKSLUQUBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-6(2,11)8-3-4(9)7-5(8)10/h11H,3H2,1-2H3,(H,7,9,10).
What are the key properties of 1-(2-sulfanylpropan-2-yl)imidazolidine-2,4-dione?
1-(2-sulfanylpropan-2-yl)imidazolidine-2,4-dione has a molecular weight of 174.22 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanylpropan-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 23024711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).