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

C8H14N2O2S — CID 87234300

IUPAC1-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCCCN1C(=O)C(CS)N(C)C1=O
InChIInChI=1S/C8H14N2O2S/c1-3-4-10-7(11)6(5-13)9(2)8(10)12/h6,13H,3-5H2,1-2H3
InChIKeyXALINYLAFWKPDG-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.59
Rot. Bonds3

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

1-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione (PubChem CID 87234300) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
PubChem CID87234300
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name1-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCCCN1C(=O)C(CS)N(C)C1=O
InChIInChI=1S/C8H14N2O2S/c1-3-4-10-7(11)6(5-13)9(2)8(10)12/h6,13H,3-5H2,1-2H3
InChIKeyXALINYLAFWKPDG-UHFFFAOYSA-N
XLogP0.59
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.59
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione (CID 87234300) is 1-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione is CCCN1C(=O)C(CS)N(C)C1=O.
What is the InChIKey of 1-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The InChIKey is XALINYLAFWKPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-3-4-10-7(11)6(5-13)9(2)8(10)12/h6,13H,3-5H2,1-2H3.
What are the key properties of 1-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
1-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione has a molecular weight of 202.28 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 87234300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).