N-[hydroxy(methoxy)phosphinothioyl]propan-2-amine

C4H12NO2PS — CID 13292133

IUPACN-[hydroxy(methoxy)phosphinothioyl]propan-2-amine
SMILESCOP(O)(=S)NC(C)C
InChIInChI=1S/C4H12NO2PS/c1-4(2)5-8(6,9)7-3/h4H,1-3H3,(H2,5,6,9)
InChIKeyFPHQYDHCMVJWGI-UHFFFAOYSA-N
MW169.19 g/mol
LogP0.85
Rot. Bonds3

About N-[hydroxy(methoxy)phosphinothioyl]propan-2-amine

N-[hydroxy(methoxy)phosphinothioyl]propan-2-amine (PubChem CID 13292133) has the molecular formula C4H12NO2PS and a molecular weight of 169.19 g/mol. Its IUPAC name is N-[hydroxy(methoxy)phosphinothioyl]propan-2-amine.

Molecular Properties

Compound NameN-[hydroxy(methoxy)phosphinothioyl]propan-2-amine
PubChem CID13292133
Molecular FormulaC4H12NO2PS
Molecular Weight169.19 g/mol
Exact Mass169.03
IUPAC NameN-[hydroxy(methoxy)phosphinothioyl]propan-2-amine
SMILESCOP(O)(=S)NC(C)C
InChIInChI=1S/C4H12NO2PS/c1-4(2)5-8(6,9)7-3/h4H,1-3H3,(H2,5,6,9)
InChIKeyFPHQYDHCMVJWGI-UHFFFAOYSA-N
XLogP0.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 50.85
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]propan-2-amine?
The IUPAC name of N-[hydroxy(methoxy)phosphinothioyl]propan-2-amine (CID 13292133) is N-[hydroxy(methoxy)phosphinothioyl]propan-2-amine.
What is the SMILES notation for N-[hydroxy(methoxy)phosphinothioyl]propan-2-amine?
The canonical SMILES for N-[hydroxy(methoxy)phosphinothioyl]propan-2-amine is COP(O)(=S)NC(C)C.
What is the InChIKey of N-[hydroxy(methoxy)phosphinothioyl]propan-2-amine?
The InChIKey is FPHQYDHCMVJWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO2PS/c1-4(2)5-8(6,9)7-3/h4H,1-3H3,(H2,5,6,9).
What are the key properties of N-[hydroxy(methoxy)phosphinothioyl]propan-2-amine?
N-[hydroxy(methoxy)phosphinothioyl]propan-2-amine has a molecular weight of 169.19 g/mol, XLogP of 0.85, 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]propan-2-amine is sourced from PubChem (CID 13292133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).