1-methyl-3-propyl-5-sulfanylimidazolidine-2,4-dione

C7H12N2O2S — CID 87233887

IUPAC1-methyl-3-propyl-5-sulfanylimidazolidine-2,4-dione
SMILESCCCN1C(=O)C(S)N(C)C1=O
InChIInChI=1S/C7H12N2O2S/c1-3-4-9-5(10)6(12)8(2)7(9)11/h6,12H,3-4H2,1-2H3
InChIKeyFWVVHDNPVONTQH-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.55
Rot. Bonds2

About 1-methyl-3-propyl-5-sulfanylimidazolidine-2,4-dione

1-methyl-3-propyl-5-sulfanylimidazolidine-2,4-dione (PubChem CID 87233887) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-methyl-3-propyl-5-sulfanylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-propyl-5-sulfanylimidazolidine-2,4-dione
PubChem CID87233887
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name1-methyl-3-propyl-5-sulfanylimidazolidine-2,4-dione
SMILESCCCN1C(=O)C(S)N(C)C1=O
InChIInChI=1S/C7H12N2O2S/c1-3-4-9-5(10)6(12)8(2)7(9)11/h6,12H,3-4H2,1-2H3
InChIKeyFWVVHDNPVONTQH-UHFFFAOYSA-N
XLogP0.55
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.55
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-sulfanylimidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-propyl-5-sulfanylimidazolidine-2,4-dione (CID 87233887) is 1-methyl-3-propyl-5-sulfanylimidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-propyl-5-sulfanylimidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-propyl-5-sulfanylimidazolidine-2,4-dione is CCCN1C(=O)C(S)N(C)C1=O.
What is the InChIKey of 1-methyl-3-propyl-5-sulfanylimidazolidine-2,4-dione?
The InChIKey is FWVVHDNPVONTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-3-4-9-5(10)6(12)8(2)7(9)11/h6,12H,3-4H2,1-2H3.
What are the key properties of 1-methyl-3-propyl-5-sulfanylimidazolidine-2,4-dione?
1-methyl-3-propyl-5-sulfanylimidazolidine-2,4-dione has a molecular weight of 188.25 g/mol, XLogP of 0.55, 2 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-sulfanylimidazolidine-2,4-dione is sourced from PubChem (CID 87233887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).