4-diaminophosphinothioylmorpholine

C4H12N3OPS — CID 57020028

IUPAC4-diaminophosphinothioylmorpholine
SMILESNP(N)(=S)N1CCOCC1
InChIInChI=1S/C4H12N3OPS/c5-9(6,10)7-1-3-8-4-2-7/h1-4H2,(H4,5,6,10)
InChIKeyUBNNDQHHKDFOEW-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.54
Rot. Bonds1

About 4-diaminophosphinothioylmorpholine

4-diaminophosphinothioylmorpholine (PubChem CID 57020028) has the molecular formula C4H12N3OPS and a molecular weight of 181.20 g/mol. Its IUPAC name is 4-diaminophosphinothioylmorpholine.

Molecular Properties

Compound Name4-diaminophosphinothioylmorpholine
PubChem CID57020028
Molecular FormulaC4H12N3OPS
Molecular Weight181.20 g/mol
Exact Mass181.04
IUPAC Name4-diaminophosphinothioylmorpholine
SMILESNP(N)(=S)N1CCOCC1
InChIInChI=1S/C4H12N3OPS/c5-9(6,10)7-1-3-8-4-2-7/h1-4H2,(H4,5,6,10)
InChIKeyUBNNDQHHKDFOEW-UHFFFAOYSA-N
XLogP-0.54
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-diaminophosphinothioylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-diaminophosphinothioylmorpholine?
The IUPAC name of 4-diaminophosphinothioylmorpholine (CID 57020028) is 4-diaminophosphinothioylmorpholine.
What is the SMILES notation for 4-diaminophosphinothioylmorpholine?
The canonical SMILES for 4-diaminophosphinothioylmorpholine is NP(N)(=S)N1CCOCC1.
What is the InChIKey of 4-diaminophosphinothioylmorpholine?
The InChIKey is UBNNDQHHKDFOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N3OPS/c5-9(6,10)7-1-3-8-4-2-7/h1-4H2,(H4,5,6,10).
What are the key properties of 4-diaminophosphinothioylmorpholine?
4-diaminophosphinothioylmorpholine has a molecular weight of 181.20 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diaminophosphinothioylmorpholine is sourced from PubChem (CID 57020028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).