[ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate

C15H25N2O3PS2 — CID 70634547

IUPAC[ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate
SMILESCCCSP(=NCCSC)(OCC)OC(=O)Nc1ccccc1
InChIInChI=1S/C15H25N2O3PS2/c1-4-12-23-21(19-5-2,16-11-13-22-3)20-15(18)17-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3,(H,17,18)
InChIKeySLSBAORXNRXNMW-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.72
Rot. Bonds10

About [ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate

[ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate (PubChem CID 70634547) has the molecular formula C15H25N2O3PS2 and a molecular weight of 376.48 g/mol. Its IUPAC name is [ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate.

Molecular Properties

Compound Name[ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate
PubChem CID70634547
Molecular FormulaC15H25N2O3PS2
Molecular Weight376.48 g/mol
Exact Mass376.10
IUPAC Name[ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate
SMILESCCCSP(=NCCSC)(OCC)OC(=O)Nc1ccccc1
InChIInChI=1S/C15H25N2O3PS2/c1-4-12-23-21(19-5-2,16-11-13-22-3)20-15(18)17-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3,(H,17,18)
InChIKeySLSBAORXNRXNMW-UHFFFAOYSA-N
XLogP5.72
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-chloroethylimino-ethoxy-propylsulfanyl-λ5-phosphanyl) N-(2-phenylethyl)carbamate
CID 70635186
butylsulfanyl N-phenylcarbamate
CID 153334606
N-[anilino(methoxy)methylidene]-propylsulfanylphosphonamidic acid
CID 157461431
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
ethyl N-(N-phenyl-N'-propylcarbamimidoyl)carbamate
CID 139222881
2-diethoxyphosphoryl-N-phenylacetamide
CID 12520780
(2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate
CID 154538662
CID 68594224
CID 68594224
2-ethoxyethyl N-phenylcarbamate
CID 4101389
1-diethoxyphosphoryl-N-phenylmethanethioamide
CID 14508989
5-methylsulfanyl-N-phenylpentanamide
CID 57105237
1-(diethoxyphosphorylmethyl)-3-phenylurea
CID 2301679

Frequently Asked Questions

What is the IUPAC name of [ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate?
The IUPAC name of [ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate (CID 70634547) is [ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate.
What is the SMILES notation for [ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate?
The canonical SMILES for [ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate is CCCSP(=NCCSC)(OCC)OC(=O)Nc1ccccc1.
What is the InChIKey of [ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate?
The InChIKey is SLSBAORXNRXNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N2O3PS2/c1-4-12-23-21(19-5-2,16-11-13-22-3)20-15(18)17-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3,(H,17,18).
What are the key properties of [ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate?
[ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate has a molecular weight of 376.48 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate is sourced from PubChem (CID 70634547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).