1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine

C14H22NO4PS — CID 88711008

IUPAC1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine
SMILESCCCSP(=O)(OCC)Oc1ccc(C(C)=NOC)cc1
InChIInChI=1S/C14H22NO4PS/c1-5-11-21-20(16,18-6-2)19-14-9-7-13(8-10-14)12(3)15-17-4/h7-10H,5-6,11H2,1-4H3
InChIKeyOBXCFIKIFHKHMB-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.72
Rot. Bonds9

About 1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine

1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine (PubChem CID 88711008) has the molecular formula C14H22NO4PS and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine.

Molecular Properties

Compound Name1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine
PubChem CID88711008
Molecular FormulaC14H22NO4PS
Molecular Weight331.37 g/mol
Exact Mass331.10
IUPAC Name1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine
SMILESCCCSP(=O)(OCC)Oc1ccc(C(C)=NOC)cc1
InChIInChI=1S/C14H22NO4PS/c1-5-11-21-20(16,18-6-2)19-14-9-7-13(8-10-14)12(3)15-17-4/h7-10H,5-6,11H2,1-4H3
InChIKeyOBXCFIKIFHKHMB-UHFFFAOYSA-N
XLogP4.72
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]ethylideneamino]carbamate
CID 88711045
1-(4-chlorophenyl)sulfinyl-4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
CID 12941004
5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene
CID 21432667
4-[4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxybenzoyl]benzamide
CID 21454412
1-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]propan-1-one
CID 23555802
(Z)-N-methoxy-1-(4-propylphenyl)ethanimine
CID 90777265
[4-[ethoxy(propylsulfanyl)phosphoryl]oxy-3-methylphenyl]-phenylmethanone
CID 54471577
1-[ethoxy(propylsulfanyl)phosphoryl]oxy-2-methoxy-4-methylsulfinylbenzene
CID 12881481
diethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-λ5-phosphane;[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
CID 87802798
1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
CID 21489075
(Z)-1-(4-butylphenyl)-N-methoxyethanimine
CID 90777266
methyl N-[[2-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]methylideneamino]carbamate
CID 57018896

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine?
The IUPAC name of 1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine (CID 88711008) is 1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine.
What is the SMILES notation for 1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine?
The canonical SMILES for 1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine is CCCSP(=O)(OCC)Oc1ccc(C(C)=NOC)cc1.
What is the InChIKey of 1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine?
The InChIKey is OBXCFIKIFHKHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO4PS/c1-5-11-21-20(16,18-6-2)19-14-9-7-13(8-10-14)12(3)15-17-4/h7-10H,5-6,11H2,1-4H3.
What are the key properties of 1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine?
1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine has a molecular weight of 331.37 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine is sourced from PubChem (CID 88711008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).