2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide

C11H19N2O4PS — CID 58785860

IUPAC2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide
SMILESCCCOCCN1C(=O)CC(SCC(=O)NP)C1=O
InChIInChI=1S/C11H19N2O4PS/c1-2-4-17-5-3-13-10(15)6-8(11(13)16)19-7-9(14)12-18/h8H,2-7,18H2,1H3,(H,12,14)
InChIKeyOWMNDIJGNSRNTE-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.18
Rot. Bonds8

About 2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide

2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide (PubChem CID 58785860) has the molecular formula C11H19N2O4PS and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide
PubChem CID58785860
Molecular FormulaC11H19N2O4PS
Molecular Weight306.32 g/mol
Exact Mass306.08
IUPAC Name2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide
SMILESCCCOCCN1C(=O)CC(SCC(=O)NP)C1=O
InChIInChI=1S/C11H19N2O4PS/c1-2-4-17-5-3-13-10(15)6-8(11(13)16)19-7-9(14)12-18/h8H,2-7,18H2,1H3,(H,12,14)
InChIKeyOWMNDIJGNSRNTE-UHFFFAOYSA-N
XLogP0.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide?
The IUPAC name of 2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide (CID 58785860) is 2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide.
What is the SMILES notation for 2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide?
The canonical SMILES for 2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide is CCCOCCN1C(=O)CC(SCC(=O)NP)C1=O.
What is the InChIKey of 2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide?
The InChIKey is OWMNDIJGNSRNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2O4PS/c1-2-4-17-5-3-13-10(15)6-8(11(13)16)19-7-9(14)12-18/h8H,2-7,18H2,1H3,(H,12,14).
What are the key properties of 2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide?
2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide has a molecular weight of 306.32 g/mol, XLogP of 0.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-1-(2-propoxyethyl)pyrrolidin-3-yl]sulfanyl-N-phosphanylacetamide is sourced from PubChem (CID 58785860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).