disodium;dioxido-piperidin-1-yl-sulfanylidene-lambda5-phosphane

C5H10NNa2O2PS — CID 3069226

IUPACdisodium;dioxido-piperidin-1-yl-sulfanylidene-lambda5-phosphane
SMILES[Na+].[Na+].[O-]P([O-])(=S)N1CCCCC1
InChIInChI=1S/C5H12NO2PS.2Na/c7-9(8,10)6-4-2-1-3-5-6;;/h1-5H2,(H2,7,8,10);;/q;2*+1/p-2
InChIKeyQYHSZUSELVYHOZ-UHFFFAOYSA-L
MW225.16 g/mol
LogP-6.57
Rot. Bonds1

About disodium;dioxido-piperidin-1-yl-sulfanylidene-lambda5-phosphane

disodium;dioxido-piperidin-1-yl-sulfanylidene-lambda5-phosphane (PubChem CID 3069226) has the molecular formula C5H10NNa2O2PS and a molecular weight of 225.16 g/mol. Its IUPAC name is disodium;dioxido-piperidin-1-yl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedisodium;dioxido-piperidin-1-yl-sulfanylidene-lambda5-phosphane
PubChem CID3069226
Molecular FormulaC5H10NNa2O2PS
Molecular Weight225.16 g/mol
Exact Mass225.00
IUPAC Namedisodium;dioxido-piperidin-1-yl-sulfanylidene-lambda5-phosphane
SMILES[Na+].[Na+].[O-]P([O-])(=S)N1CCCCC1
InChIInChI=1S/C5H12NO2PS.2Na/c7-9(8,10)6-4-2-1-3-5-6;;/h1-5H2,(H2,7,8,10);;/q;2*+1/p-2
InChIKeyQYHSZUSELVYHOZ-UHFFFAOYSA-L
XLogP-6.57
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 5-6.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;dioxido-piperidin-1-yl-sulfanylidene-lambda5-phosphane?
The IUPAC name of disodium;dioxido-piperidin-1-yl-sulfanylidene-lambda5-phosphane (CID 3069226) is disodium;dioxido-piperidin-1-yl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for disodium;dioxido-piperidin-1-yl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for disodium;dioxido-piperidin-1-yl-sulfanylidene-lambda5-phosphane is [Na+].[Na+].[O-]P([O-])(=S)N1CCCCC1.
What is the InChIKey of disodium;dioxido-piperidin-1-yl-sulfanylidene-lambda5-phosphane?
The InChIKey is QYHSZUSELVYHOZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H12NO2PS.2Na/c7-9(8,10)6-4-2-1-3-5-6;;/h1-5H2,(H2,7,8,10);;/q;2*+1/p-2.
What are the key properties of disodium;dioxido-piperidin-1-yl-sulfanylidene-lambda5-phosphane?
disodium;dioxido-piperidin-1-yl-sulfanylidene-lambda5-phosphane has a molecular weight of 225.16 g/mol, XLogP of -6.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;dioxido-piperidin-1-yl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3069226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).