N-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine

C6H20N4O2P2S — CID 21113925

IUPACN-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine
SMILESCC(C)NP(N)(=O)OP(N)(=S)NC(C)C
InChIInChI=1S/C6H20N4O2P2S/c1-5(2)9-13(7,11)12-14(8,15)10-6(3)4/h5-6H,1-4H3,(H3,7,9,11)(H3,8,10,15)
InChIKeyUBLLUHAFAPLBSR-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.25
Rot. Bonds6

About N-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine

N-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine (PubChem CID 21113925) has the molecular formula C6H20N4O2P2S and a molecular weight of 274.27 g/mol. Its IUPAC name is N-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine.

Molecular Properties

Compound NameN-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine
PubChem CID21113925
Molecular FormulaC6H20N4O2P2S
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC NameN-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine
SMILESCC(C)NP(N)(=O)OP(N)(=S)NC(C)C
InChIInChI=1S/C6H20N4O2P2S/c1-5(2)9-13(7,11)12-14(8,15)10-6(3)4/h5-6H,1-4H3,(H3,7,9,11)(H3,8,10,15)
InChIKeyUBLLUHAFAPLBSR-UHFFFAOYSA-N
XLogP1.25
TPSA102.40 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine?
The IUPAC name of N-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine (CID 21113925) is N-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine.
What is the SMILES notation for N-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine?
The canonical SMILES for N-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine is CC(C)NP(N)(=O)OP(N)(=S)NC(C)C.
What is the InChIKey of N-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine?
The InChIKey is UBLLUHAFAPLBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H20N4O2P2S/c1-5(2)9-13(7,11)12-14(8,15)10-6(3)4/h5-6H,1-4H3,(H3,7,9,11)(H3,8,10,15).
What are the key properties of N-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine?
N-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine has a molecular weight of 274.27 g/mol, XLogP of 1.25, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine is sourced from PubChem (CID 21113925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).