sodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine

C6H15NNaO2PS — CID 23679326

IUPACsodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine
SMILESCCOP([O-])(=S)NCC(C)C.[Na+]
InChIInChI=1S/C6H16NO2PS.Na/c1-4-9-10(8,11)7-5-6(2)3;/h6H,4-5H2,1-3H3,(H2,7,8,11);/q;+1/p-1
InChIKeyLMVOBUMBQRGYPT-UHFFFAOYSA-M
MW219.22 g/mol
LogP-2.14
Rot. Bonds5

About sodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine

sodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine (PubChem CID 23679326) has the molecular formula C6H15NNaO2PS and a molecular weight of 219.22 g/mol. Its IUPAC name is sodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Namesodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine
PubChem CID23679326
Molecular FormulaC6H15NNaO2PS
Molecular Weight219.22 g/mol
Exact Mass219.05
IUPAC Namesodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine
SMILESCCOP([O-])(=S)NCC(C)C.[Na+]
InChIInChI=1S/C6H16NO2PS.Na/c1-4-9-10(8,11)7-5-6(2)3;/h6H,4-5H2,1-3H3,(H2,7,8,11);/q;+1/p-1
InChIKeyLMVOBUMBQRGYPT-UHFFFAOYSA-M
XLogP-2.14
TPSA44.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-2.14
H-Bond Donors ≤ 51
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 sodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine?
The IUPAC name of sodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine (CID 23679326) is sodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine.
What is the SMILES notation for sodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine?
The canonical SMILES for sodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine is CCOP([O-])(=S)NCC(C)C.[Na+].
What is the InChIKey of sodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine?
The InChIKey is LMVOBUMBQRGYPT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16NO2PS.Na/c1-4-9-10(8,11)7-5-6(2)3;/h6H,4-5H2,1-3H3,(H2,7,8,11);/q;+1/p-1.
What are the key properties of sodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine?
sodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine has a molecular weight of 219.22 g/mol, XLogP of -2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine is sourced from PubChem (CID 23679326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).