N-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid

C11H17N2O3PS — CID 157461431

IUPACN-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid
SMILESCCCSP(=O)(O)N=C(Nc1ccccc1)OC
InChIInChI=1S/C11H17N2O3PS/c1-3-9-18-17(14,15)13-11(16-2)12-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H2,12,13,14,15)
InChIKeyBTYXHLQSZXEMEH-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.34
Rot. Bonds5

About N-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid

N-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid (PubChem CID 157461431) has the molecular formula C11H17N2O3PS and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid.

Molecular Properties

Compound NameN-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid
PubChem CID157461431
Molecular FormulaC11H17N2O3PS
Molecular Weight288.31 g/mol
Exact Mass288.07
IUPAC NameN-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid
SMILESCCCSP(=O)(O)N=C(Nc1ccccc1)OC
InChIInChI=1S/C11H17N2O3PS/c1-3-9-18-17(14,15)13-11(16-2)12-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H2,12,13,14,15)
InChIKeyBTYXHLQSZXEMEH-UHFFFAOYSA-N
XLogP3.34
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

S-heptyl N-phenylcarbamothioate
CID 118643411
[ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate
CID 70634547
butylsulfanyl N-phenylcarbamate
CID 153334606
N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 43041762
CID 68594224
CID 68594224
1-diethoxyphosphoryl-N-phenylmethanethioamide
CID 14508989
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
N'-phenyl-N-propyloxamide
CID 2291438
nonyl N-phenylcarbamodithioate
CID 12948617
(2R)-2-methoxy-N-phenylpentanamide
CID 70193042
heptyl N-phenylcarbamodithioate
CID 86226187
2-diethoxyphosphoryl-N-phenylacetamide
CID 12520780

Frequently Asked Questions

What is the IUPAC name of N-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid?
The IUPAC name of N-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid (CID 157461431) is N-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid.
What is the SMILES notation for N-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid?
The canonical SMILES for N-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid is CCCSP(=O)(O)N=C(Nc1ccccc1)OC.
What is the InChIKey of N-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid?
The InChIKey is BTYXHLQSZXEMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2O3PS/c1-3-9-18-17(14,15)13-11(16-2)12-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H2,12,13,14,15).
What are the key properties of N-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid?
N-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid has a molecular weight of 288.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid is sourced from PubChem (CID 157461431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).