[[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane

C15H28NO5PSSi — CID 170607301

IUPAC[[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane
SMILESCCOP(=O)(CS(=O)(=N[Si](C)(C)C)c1ccc(OC)cc1)OCC
InChIInChI=1S/C15H28NO5PSSi/c1-7-20-22(17,21-8-2)13-23(18,16-24(4,5)6)15-11-9-14(19-3)10-12-15/h9-12H,7-8,13H2,1-6H3
InChIKeyDPFZSJAKTMDFSR-UHFFFAOYSA-N
MW393.52 g/mol
LogP4.58
Rot. Bonds9

About [[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane

[[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane (PubChem CID 170607301) has the molecular formula C15H28NO5PSSi and a molecular weight of 393.52 g/mol. Its IUPAC name is [[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane.

Molecular Properties

Compound Name[[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane
PubChem CID170607301
Molecular FormulaC15H28NO5PSSi
Molecular Weight393.52 g/mol
Exact Mass393.12
IUPAC Name[[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane
SMILESCCOP(=O)(CS(=O)(=N[Si](C)(C)C)c1ccc(OC)cc1)OCC
InChIInChI=1S/C15H28NO5PSSi/c1-7-20-22(17,21-8-2)13-23(18,16-24(4,5)6)15-11-9-14(19-3)10-12-15/h9-12H,7-8,13H2,1-6H3
InChIKeyDPFZSJAKTMDFSR-UHFFFAOYSA-N
XLogP4.58
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane
CID 170607299
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
1-(diethoxyphosphorylmethylsulfanylmethyl)-4-methoxybenzene
CID 170567122
1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene
CID 57117278
1-diethoxyphosphorylethenyl 4-methoxybenzenesulfonate
CID 132518296
1-diethoxyphosphoryl-4-hydroxy-4-(4-methoxyphenyl)butan-2-one
CID 14340418
N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline
CID 102299987
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
ethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane
CID 138965608
lithium diethoxyphosphorylmethanesulfonate
CID 23683927
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
2-(diethoxyphosphorylmethylsulfonyl)pyridine
CID 23421466

Frequently Asked Questions

What is the IUPAC name of [[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane?
The IUPAC name of [[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane (CID 170607301) is [[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane.
What is the SMILES notation for [[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane?
The canonical SMILES for [[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane is CCOP(=O)(CS(=O)(=N[Si](C)(C)C)c1ccc(OC)cc1)OCC.
What is the InChIKey of [[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane?
The InChIKey is DPFZSJAKTMDFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28NO5PSSi/c1-7-20-22(17,21-8-2)13-23(18,16-24(4,5)6)15-11-9-14(19-3)10-12-15/h9-12H,7-8,13H2,1-6H3.
What are the key properties of [[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane?
[[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane has a molecular weight of 393.52 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane is sourced from PubChem (CID 170607301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).