sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide

C5H9NNaO3PS — CID 23701941

IUPACsodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide
SMILESC=CCOP([O-])(=S)NC(C)=O.[Na+]
InChIInChI=1S/C5H10NO3PS.Na/c1-3-4-9-10(8,11)6-5(2)7;/h3H,1,4H2,2H3,(H2,6,7,8,11);/q;+1/p-1
InChIKeySKPGRFGRMOMBSH-UHFFFAOYSA-M
MW217.16 g/mol
LogP-3.09
Rot. Bonds4

About sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide

sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide (PubChem CID 23701941) has the molecular formula C5H9NNaO3PS and a molecular weight of 217.16 g/mol. Its IUPAC name is sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide.

Molecular Properties

Compound Namesodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide
PubChem CID23701941
Molecular FormulaC5H9NNaO3PS
Molecular Weight217.16 g/mol
Exact Mass216.99
IUPAC Namesodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide
SMILESC=CCOP([O-])(=S)NC(C)=O.[Na+]
InChIInChI=1S/C5H10NO3PS.Na/c1-3-4-9-10(8,11)6-5(2)7;/h3H,1,4H2,2H3,(H2,6,7,8,11);/q;+1/p-1
InChIKeySKPGRFGRMOMBSH-UHFFFAOYSA-M
XLogP-3.09
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 5-3.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide?
The IUPAC name of sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide (CID 23701941) is sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide.
What is the SMILES notation for sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide?
The canonical SMILES for sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide is C=CCOP([O-])(=S)NC(C)=O.[Na+].
What is the InChIKey of sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide?
The InChIKey is SKPGRFGRMOMBSH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10NO3PS.Na/c1-3-4-9-10(8,11)6-5(2)7;/h3H,1,4H2,2H3,(H2,6,7,8,11);/q;+1/p-1.
What are the key properties of sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide?
sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide has a molecular weight of 217.16 g/mol, XLogP of -3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide is sourced from PubChem (CID 23701941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).