5-(phosphanyloxymethyl)pyrrolidine-2-thione

C5H10NOPS — CID 59641159

IUPAC5-(phosphanyloxymethyl)pyrrolidine-2-thione
SMILESPOCC1CCC(=S)N1
InChIInChI=1S/C5H10NOPS/c8-7-3-4-1-2-5(9)6-4/h4H,1-3,8H2,(H,6,9)
InChIKeyVUPNUOCXHBYGQB-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.87
Rot. Bonds2

About 5-(phosphanyloxymethyl)pyrrolidine-2-thione

5-(phosphanyloxymethyl)pyrrolidine-2-thione (PubChem CID 59641159) has the molecular formula C5H10NOPS and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-(phosphanyloxymethyl)pyrrolidine-2-thione.

Molecular Properties

Compound Name5-(phosphanyloxymethyl)pyrrolidine-2-thione
PubChem CID59641159
Molecular FormulaC5H10NOPS
Molecular Weight163.18 g/mol
Exact Mass163.02
IUPAC Name5-(phosphanyloxymethyl)pyrrolidine-2-thione
SMILESPOCC1CCC(=S)N1
InChIInChI=1S/C5H10NOPS/c8-7-3-4-1-2-5(9)6-4/h4H,1-3,8H2,(H,6,9)
InChIKeyVUPNUOCXHBYGQB-UHFFFAOYSA-N
XLogP0.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(phosphanyloxymethyl)pyrrolidine-2-thione?
The IUPAC name of 5-(phosphanyloxymethyl)pyrrolidine-2-thione (CID 59641159) is 5-(phosphanyloxymethyl)pyrrolidine-2-thione.
What is the SMILES notation for 5-(phosphanyloxymethyl)pyrrolidine-2-thione?
The canonical SMILES for 5-(phosphanyloxymethyl)pyrrolidine-2-thione is POCC1CCC(=S)N1.
What is the InChIKey of 5-(phosphanyloxymethyl)pyrrolidine-2-thione?
The InChIKey is VUPNUOCXHBYGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NOPS/c8-7-3-4-1-2-5(9)6-4/h4H,1-3,8H2,(H,6,9).
What are the key properties of 5-(phosphanyloxymethyl)pyrrolidine-2-thione?
5-(phosphanyloxymethyl)pyrrolidine-2-thione has a molecular weight of 163.18 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phosphanyloxymethyl)pyrrolidine-2-thione is sourced from PubChem (CID 59641159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).