4-(phosphanylmethylsulfanylmethyl)imidazolidin-2-one

C5H11N2OPS — CID 145081651

IUPAC4-(phosphanylmethylsulfanylmethyl)imidazolidin-2-one
SMILESO=C1NCC(CSCP)N1
InChIInChI=1S/C5H11N2OPS/c8-5-6-1-4(7-5)2-10-3-9/h4H,1-3,9H2,(H2,6,7,8)
InChIKeyOBJMNTIRSXLMCL-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.23
Rot. Bonds3

About 4-(phosphanylmethylsulfanylmethyl)imidazolidin-2-one

4-(phosphanylmethylsulfanylmethyl)imidazolidin-2-one (PubChem CID 145081651) has the molecular formula C5H11N2OPS and a molecular weight of 178.20 g/mol. Its IUPAC name is 4-(phosphanylmethylsulfanylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(phosphanylmethylsulfanylmethyl)imidazolidin-2-one
PubChem CID145081651
Molecular FormulaC5H11N2OPS
Molecular Weight178.20 g/mol
Exact Mass178.03
IUPAC Name4-(phosphanylmethylsulfanylmethyl)imidazolidin-2-one
SMILESO=C1NCC(CSCP)N1
InChIInChI=1S/C5H11N2OPS/c8-5-6-1-4(7-5)2-10-3-9/h4H,1-3,9H2,(H2,6,7,8)
InChIKeyOBJMNTIRSXLMCL-UHFFFAOYSA-N
XLogP0.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(phosphanylmethylsulfanylmethyl)imidazolidin-2-one?
The IUPAC name of 4-(phosphanylmethylsulfanylmethyl)imidazolidin-2-one (CID 145081651) is 4-(phosphanylmethylsulfanylmethyl)imidazolidin-2-one.
What is the SMILES notation for 4-(phosphanylmethylsulfanylmethyl)imidazolidin-2-one?
The canonical SMILES for 4-(phosphanylmethylsulfanylmethyl)imidazolidin-2-one is O=C1NCC(CSCP)N1.
What is the InChIKey of 4-(phosphanylmethylsulfanylmethyl)imidazolidin-2-one?
The InChIKey is OBJMNTIRSXLMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2OPS/c8-5-6-1-4(7-5)2-10-3-9/h4H,1-3,9H2,(H2,6,7,8).
What are the key properties of 4-(phosphanylmethylsulfanylmethyl)imidazolidin-2-one?
4-(phosphanylmethylsulfanylmethyl)imidazolidin-2-one has a molecular weight of 178.20 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phosphanylmethylsulfanylmethyl)imidazolidin-2-one is sourced from PubChem (CID 145081651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).