N-dihydroxyphosphinothioylpropan-1-amine

C3H10NO2PS — CID 20562403

IUPACN-dihydroxyphosphinothioylpropan-1-amine
SMILESCCCNP(O)(O)=S
InChIInChI=1S/C3H10NO2PS/c1-2-3-4-7(5,6)8/h2-3H2,1H3,(H3,4,5,6,8)
InChIKeyYFDOTFPEOBHARS-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.20
Rot. Bonds3

About N-dihydroxyphosphinothioylpropan-1-amine

N-dihydroxyphosphinothioylpropan-1-amine (PubChem CID 20562403) has the molecular formula C3H10NO2PS and a molecular weight of 155.16 g/mol. Its IUPAC name is N-dihydroxyphosphinothioylpropan-1-amine.

Molecular Properties

Compound NameN-dihydroxyphosphinothioylpropan-1-amine
PubChem CID20562403
Molecular FormulaC3H10NO2PS
Molecular Weight155.16 g/mol
Exact Mass155.02
IUPAC NameN-dihydroxyphosphinothioylpropan-1-amine
SMILESCCCNP(O)(O)=S
InChIInChI=1S/C3H10NO2PS/c1-2-3-4-7(5,6)8/h2-3H2,1H3,(H3,4,5,6,8)
InChIKeyYFDOTFPEOBHARS-UHFFFAOYSA-N
XLogP0.20
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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-dihydroxyphosphinothioylpropan-1-amine?
The IUPAC name of N-dihydroxyphosphinothioylpropan-1-amine (CID 20562403) is N-dihydroxyphosphinothioylpropan-1-amine.
What is the SMILES notation for N-dihydroxyphosphinothioylpropan-1-amine?
The canonical SMILES for N-dihydroxyphosphinothioylpropan-1-amine is CCCNP(O)(O)=S.
What is the InChIKey of N-dihydroxyphosphinothioylpropan-1-amine?
The InChIKey is YFDOTFPEOBHARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO2PS/c1-2-3-4-7(5,6)8/h2-3H2,1H3,(H3,4,5,6,8).
What are the key properties of N-dihydroxyphosphinothioylpropan-1-amine?
N-dihydroxyphosphinothioylpropan-1-amine has a molecular weight of 155.16 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dihydroxyphosphinothioylpropan-1-amine is sourced from PubChem (CID 20562403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).