methylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid

C6H19N4O2PS — CID 163698100

IUPACmethylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid
SMILES[H]N=S(CCC)(CCNP(=O)(O)NC)=N[H]
InChIInChI=1S/C6H19N4O2PS/c1-3-5-14(7,8)6-4-10-13(11,12)9-2/h7-8H,3-6H2,1-2H3,(H3,9,10,11,12)
InChIKeyJYPRZMKOMBPVDQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.98
Rot. Bonds7

About methylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid

methylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid (PubChem CID 163698100) has the molecular formula C6H19N4O2PS and a molecular weight of 242.28 g/mol. Its IUPAC name is methylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid.

Molecular Properties

Compound Namemethylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid
PubChem CID163698100
Molecular FormulaC6H19N4O2PS
Molecular Weight242.28 g/mol
Exact Mass242.10
IUPAC Namemethylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid
SMILES[H]N=S(CCC)(CCNP(=O)(O)NC)=N[H]
InChIInChI=1S/C6H19N4O2PS/c1-3-5-14(7,8)6-4-10-13(11,12)9-2/h7-8H,3-6H2,1-2H3,(H3,9,10,11,12)
InChIKeyJYPRZMKOMBPVDQ-UHFFFAOYSA-N
XLogP0.98
TPSA109.06 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(propylamino)phosphinic acid
CID 59603177
(ethylamino)-(propylamino)phosphinic acid;yttrium
CID 58265803
butane;methane;phosphoric acid;hydrate
CID 173079168
[[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid
CID 163793506
N-methylpentan-1-amine;phosphoric acid
CID 175529105
N-methylpropan-1-amine;sulfuric acid
CID 159819552
tris(N-methyldodecan-1-amine);phosphoric acid
CID 175134049
tris(N-methyloctan-1-amine);phosphoric acid;propan-2-ol
CID 175090392
1-aminopropan-1-ol;butane;phosphoric acid
CID 87838613
2-(ethylamino)ethylphosphonic acid
CID 12557409
aminomethyl(propylaminomethyl)phosphinic acid
CID 118735644
butane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine
CID 159327936

Frequently Asked Questions

What is the IUPAC name of methylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid?
The IUPAC name of methylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid (CID 163698100) is methylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid.
What is the SMILES notation for methylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid?
The canonical SMILES for methylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid is [H]N=S(CCC)(CCNP(=O)(O)NC)=N[H].
What is the InChIKey of methylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid?
The InChIKey is JYPRZMKOMBPVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H19N4O2PS/c1-3-5-14(7,8)6-4-10-13(11,12)9-2/h7-8H,3-6H2,1-2H3,(H3,9,10,11,12).
What are the key properties of methylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid?
methylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid has a molecular weight of 242.28 g/mol, XLogP of 0.98, 7 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid is sourced from PubChem (CID 163698100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).