5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione

C13H16N3O2PS — CID 91488886

IUPAC5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione
SMILESC=PC1(c2ccccc2)NC(=O)N(CCNSC)C1=O
InChIInChI=1S/C13H16N3O2PS/c1-19-13(10-6-4-3-5-7-10)11(17)16(12(18)15-13)9-8-14-20-2/h3-7,14H,1,8-9H2,2H3,(H,15,18)
InChIKeyUENUZEFXXPLMPP-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.64
Rot. Bonds6

About 5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione

5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 91488886) has the molecular formula C13H16N3O2PS and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione
PubChem CID91488886
Molecular FormulaC13H16N3O2PS
Molecular Weight309.33 g/mol
Exact Mass309.07
IUPAC Name5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione
SMILESC=PC1(c2ccccc2)NC(=O)N(CCNSC)C1=O
InChIInChI=1S/C13H16N3O2PS/c1-19-13(10-6-4-3-5-7-10)11(17)16(12(18)15-13)9-8-14-20-2/h3-7,14H,1,8-9H2,2H3,(H,15,18)
InChIKeyUENUZEFXXPLMPP-UHFFFAOYSA-N
XLogP1.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione (CID 91488886) is 5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione is C=PC1(c2ccccc2)NC(=O)N(CCNSC)C1=O.
What is the InChIKey of 5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is UENUZEFXXPLMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N3O2PS/c1-19-13(10-6-4-3-5-7-10)11(17)16(12(18)15-13)9-8-14-20-2/h3-7,14H,1,8-9H2,2H3,(H,15,18).
What are the key properties of 5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione?
5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 309.33 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 91488886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).