N-[hydroxy(methoxy)phosphinothioyl]ethanamine

C3H10NO2PS — CID 12873572

IUPACN-[hydroxy(methoxy)phosphinothioyl]ethanamine
SMILESCCNP(O)(=S)OC
InChIInChI=1S/C3H10NO2PS/c1-3-4-7(5,8)6-2/h3H2,1-2H3,(H2,4,5,8)
InChIKeyQFOQPSWTKUYNLG-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.46
Rot. Bonds3

About N-[hydroxy(methoxy)phosphinothioyl]ethanamine

N-[hydroxy(methoxy)phosphinothioyl]ethanamine (PubChem CID 12873572) has the molecular formula C3H10NO2PS and a molecular weight of 155.16 g/mol. Its IUPAC name is N-[hydroxy(methoxy)phosphinothioyl]ethanamine.

Molecular Properties

Compound NameN-[hydroxy(methoxy)phosphinothioyl]ethanamine
PubChem CID12873572
Molecular FormulaC3H10NO2PS
Molecular Weight155.16 g/mol
Exact Mass155.02
IUPAC NameN-[hydroxy(methoxy)phosphinothioyl]ethanamine
SMILESCCNP(O)(=S)OC
InChIInChI=1S/C3H10NO2PS/c1-3-4-7(5,8)6-2/h3H2,1-2H3,(H2,4,5,8)
InChIKeyQFOQPSWTKUYNLG-UHFFFAOYSA-N
XLogP0.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[hydroxy(methoxy)phosphinothioyl]ethanamine?
The IUPAC name of N-[hydroxy(methoxy)phosphinothioyl]ethanamine (CID 12873572) is N-[hydroxy(methoxy)phosphinothioyl]ethanamine.
What is the SMILES notation for N-[hydroxy(methoxy)phosphinothioyl]ethanamine?
The canonical SMILES for N-[hydroxy(methoxy)phosphinothioyl]ethanamine is CCNP(O)(=S)OC.
What is the InChIKey of N-[hydroxy(methoxy)phosphinothioyl]ethanamine?
The InChIKey is QFOQPSWTKUYNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO2PS/c1-3-4-7(5,8)6-2/h3H2,1-2H3,(H2,4,5,8).
What are the key properties of N-[hydroxy(methoxy)phosphinothioyl]ethanamine?
N-[hydroxy(methoxy)phosphinothioyl]ethanamine has a molecular weight of 155.16 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy(methoxy)phosphinothioyl]ethanamine is sourced from PubChem (CID 12873572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).