2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide

C11H16NO3PS2 — CID 149151907

IUPAC2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSP(O)(O)=S)c1ccccc1
InChIInChI=1S/C11H16NO3PS2/c1-9(2)12(10-6-4-3-5-7-10)11(13)8-18-16(14,15)17/h3-7,9H,8H2,1-2H3,(H2,14,15,17)
InChIKeyVSTLKYXWUQENTK-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.37
Rot. Bonds5

About 2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide

2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide (PubChem CID 149151907) has the molecular formula C11H16NO3PS2 and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide
PubChem CID149151907
Molecular FormulaC11H16NO3PS2
Molecular Weight305.36 g/mol
Exact Mass305.03
IUPAC Name2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSP(O)(O)=S)c1ccccc1
InChIInChI=1S/C11H16NO3PS2/c1-9(2)12(10-6-4-3-5-7-10)11(13)8-18-16(14,15)17/h3-7,9H,8H2,1-2H3,(H2,14,15,17)
InChIKeyVSTLKYXWUQENTK-UHFFFAOYSA-N
XLogP2.37
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
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 2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide (CID 149151907) is 2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CSP(O)(O)=S)c1ccccc1.
What is the InChIKey of 2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is VSTLKYXWUQENTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO3PS2/c1-9(2)12(10-6-4-3-5-7-10)11(13)8-18-16(14,15)17/h3-7,9H,8H2,1-2H3,(H2,14,15,17).
What are the key properties of 2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide?
2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 305.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 149151907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).