N-dihydroxyphosphinothioylbutan-1-amine

C4H12NO2PS — CID 19882926

IUPACN-dihydroxyphosphinothioylbutan-1-amine
SMILESCCCCNP(O)(O)=S
InChIInChI=1S/C4H12NO2PS/c1-2-3-4-5-8(6,7)9/h2-4H2,1H3,(H3,5,6,7,9)
InChIKeyXKRNOLSUYJFJAT-UHFFFAOYSA-N
MW169.19 g/mol
LogP0.59
Rot. Bonds4

About N-dihydroxyphosphinothioylbutan-1-amine

N-dihydroxyphosphinothioylbutan-1-amine (PubChem CID 19882926) has the molecular formula C4H12NO2PS and a molecular weight of 169.19 g/mol. Its IUPAC name is N-dihydroxyphosphinothioylbutan-1-amine.

Molecular Properties

Compound NameN-dihydroxyphosphinothioylbutan-1-amine
PubChem CID19882926
Molecular FormulaC4H12NO2PS
Molecular Weight169.19 g/mol
Exact Mass169.03
IUPAC NameN-dihydroxyphosphinothioylbutan-1-amine
SMILESCCCCNP(O)(O)=S
InChIInChI=1S/C4H12NO2PS/c1-2-3-4-5-8(6,7)9/h2-4H2,1H3,(H3,5,6,7,9)
InChIKeyXKRNOLSUYJFJAT-UHFFFAOYSA-N
XLogP0.59
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dihydroxyphosphinothioylbutan-1-amine?
The IUPAC name of N-dihydroxyphosphinothioylbutan-1-amine (CID 19882926) is N-dihydroxyphosphinothioylbutan-1-amine.
What is the SMILES notation for N-dihydroxyphosphinothioylbutan-1-amine?
The canonical SMILES for N-dihydroxyphosphinothioylbutan-1-amine is CCCCNP(O)(O)=S.
What is the InChIKey of N-dihydroxyphosphinothioylbutan-1-amine?
The InChIKey is XKRNOLSUYJFJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO2PS/c1-2-3-4-5-8(6,7)9/h2-4H2,1H3,(H3,5,6,7,9).
What are the key properties of N-dihydroxyphosphinothioylbutan-1-amine?
N-dihydroxyphosphinothioylbutan-1-amine has a molecular weight of 169.19 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dihydroxyphosphinothioylbutan-1-amine is sourced from PubChem (CID 19882926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).