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

C5H14NO2PS — CID 20543039

IUPACN-[hydroxy(methoxy)phosphinothioyl]butan-2-amine
SMILESCCC(C)NP(O)(=S)OC
InChIInChI=1S/C5H14NO2PS/c1-4-5(2)6-9(7,10)8-3/h5H,4H2,1-3H3,(H2,6,7,10)
InChIKeyMWXUPPNEHSOBSK-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.24
Rot. Bonds4

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

N-[hydroxy(methoxy)phosphinothioyl]butan-2-amine (PubChem CID 20543039) has the molecular formula C5H14NO2PS and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[hydroxy(methoxy)phosphinothioyl]butan-2-amine.

Molecular Properties

Compound NameN-[hydroxy(methoxy)phosphinothioyl]butan-2-amine
PubChem CID20543039
Molecular FormulaC5H14NO2PS
Molecular Weight183.21 g/mol
Exact Mass183.05
IUPAC NameN-[hydroxy(methoxy)phosphinothioyl]butan-2-amine
SMILESCCC(C)NP(O)(=S)OC
InChIInChI=1S/C5H14NO2PS/c1-4-5(2)6-9(7,10)8-3/h5H,4H2,1-3H3,(H2,6,7,10)
InChIKeyMWXUPPNEHSOBSK-UHFFFAOYSA-N
XLogP1.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.24
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]butan-2-amine?
The IUPAC name of N-[hydroxy(methoxy)phosphinothioyl]butan-2-amine (CID 20543039) is N-[hydroxy(methoxy)phosphinothioyl]butan-2-amine.
What is the SMILES notation for N-[hydroxy(methoxy)phosphinothioyl]butan-2-amine?
The canonical SMILES for N-[hydroxy(methoxy)phosphinothioyl]butan-2-amine is CCC(C)NP(O)(=S)OC.
What is the InChIKey of N-[hydroxy(methoxy)phosphinothioyl]butan-2-amine?
The InChIKey is MWXUPPNEHSOBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO2PS/c1-4-5(2)6-9(7,10)8-3/h5H,4H2,1-3H3,(H2,6,7,10).
What are the key properties of N-[hydroxy(methoxy)phosphinothioyl]butan-2-amine?
N-[hydroxy(methoxy)phosphinothioyl]butan-2-amine has a molecular weight of 183.21 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy(methoxy)phosphinothioyl]butan-2-amine is sourced from PubChem (CID 20543039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).