1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione

C4H6NO2PS — CID 142981400

IUPAC1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(S)C(=O)N1P
InChIInChI=1S/C4H6NO2PS/c6-3-1-2(9)4(7)5(3)8/h2,9H,1,8H2
InChIKeyHKOSRBRAMMLODY-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.17
Rot. Bonds

About 1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione

1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione (PubChem CID 142981400) has the molecular formula C4H6NO2PS and a molecular weight of 163.14 g/mol. Its IUPAC name is 1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione
PubChem CID142981400
Molecular FormulaC4H6NO2PS
Molecular Weight163.14 g/mol
Exact Mass162.99
IUPAC Name1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(S)C(=O)N1P
InChIInChI=1S/C4H6NO2PS/c6-3-1-2(9)4(7)5(3)8/h2,9H,1,8H2
InChIKeyHKOSRBRAMMLODY-UHFFFAOYSA-N
XLogP-0.17
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-iodo-3-sulfanylpyrrolidine-2,5-dione
CID 130374102
1-[4-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)butyl]-3-methylpyrrolidine-2,5-dione
CID 89185151
1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784409
ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784408
1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione;propane
CID 142329747
1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 164585890
(2,5-dioxo-3-sulfanylpyrrolidin-1-yl) 2-methylpropanoate
CID 138475521
1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-3-sulfanylpyrrolidine-2,5-dione
CID 137390939
6-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)hexanal
CID 139380902
3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-ethylbenzamide
CID 170751707
1-(4-tert-butyl-3-chlorophenyl)-3-sulfanylpyrrolidine-2,5-dione
CID 137390929
2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 71581754

Frequently Asked Questions

What is the IUPAC name of 1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione (CID 142981400) is 1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione is O=C1CC(S)C(=O)N1P.
What is the InChIKey of 1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione?
The InChIKey is HKOSRBRAMMLODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6NO2PS/c6-3-1-2(9)4(7)5(3)8/h2,9H,1,8H2.
What are the key properties of 1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione?
1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione has a molecular weight of 163.14 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 142981400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).