[4-[[4-(dimethylsulfamoyloxy)phenyl]-dimethylsilyl]phenyl] N,N-dimethylsulfamate

C18H26N2O6S2Si — CID 90670784

IUPAC[4-[[4-(dimethylsulfamoyloxy)phenyl]-dimethylsilyl]phenyl] N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1ccc([Si](C)(C)c2ccc(OS(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H26N2O6S2Si/c1-19(2)27(21,22)25-15-7-11-17(12-8-15)29(5,6)18-13-9-16(10-14-18)26-28(23,24)20(3)4/h7-14H,1-6H3
InChIKeyDSLUQFKUPRPIDH-UHFFFAOYSA-N
MW458.63 g/mol
LogP0.88
Rot. Bonds8

About [4-[[4-(dimethylsulfamoyloxy)phenyl]-dimethylsilyl]phenyl] N,N-dimethylsulfamate

[4-[[4-(dimethylsulfamoyloxy)phenyl]-dimethylsilyl]phenyl] N,N-dimethylsulfamate (PubChem CID 90670784) has the molecular formula C18H26N2O6S2Si and a molecular weight of 458.63 g/mol. Its IUPAC name is [4-[[4-(dimethylsulfamoyloxy)phenyl]-dimethylsilyl]phenyl] N,N-dimethylsulfamate.

Molecular Properties

Compound Name[4-[[4-(dimethylsulfamoyloxy)phenyl]-dimethylsilyl]phenyl] N,N-dimethylsulfamate
PubChem CID90670784
Molecular FormulaC18H26N2O6S2Si
Molecular Weight458.63 g/mol
Exact Mass458.10
IUPAC Name[4-[[4-(dimethylsulfamoyloxy)phenyl]-dimethylsilyl]phenyl] N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1ccc([Si](C)(C)c2ccc(OS(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H26N2O6S2Si/c1-19(2)27(21,22)25-15-7-11-17(12-8-15)29(5,6)18-13-9-16(10-14-18)26-28(23,24)20(3)4/h7-14H,1-6H3
InChIKeyDSLUQFKUPRPIDH-UHFFFAOYSA-N
XLogP0.88
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(dimethylsulfamoyloxy)phenyl]-dimethylsilyl]phenyl] N,N-dimethylsulfamate?
The IUPAC name of [4-[[4-(dimethylsulfamoyloxy)phenyl]-dimethylsilyl]phenyl] N,N-dimethylsulfamate (CID 90670784) is [4-[[4-(dimethylsulfamoyloxy)phenyl]-dimethylsilyl]phenyl] N,N-dimethylsulfamate.
What is the SMILES notation for [4-[[4-(dimethylsulfamoyloxy)phenyl]-dimethylsilyl]phenyl] N,N-dimethylsulfamate?
The canonical SMILES for [4-[[4-(dimethylsulfamoyloxy)phenyl]-dimethylsilyl]phenyl] N,N-dimethylsulfamate is CN(C)S(=O)(=O)Oc1ccc([Si](C)(C)c2ccc(OS(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of [4-[[4-(dimethylsulfamoyloxy)phenyl]-dimethylsilyl]phenyl] N,N-dimethylsulfamate?
The InChIKey is DSLUQFKUPRPIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S2Si/c1-19(2)27(21,22)25-15-7-11-17(12-8-15)29(5,6)18-13-9-16(10-14-18)26-28(23,24)20(3)4/h7-14H,1-6H3.
What are the key properties of [4-[[4-(dimethylsulfamoyloxy)phenyl]-dimethylsilyl]phenyl] N,N-dimethylsulfamate?
[4-[[4-(dimethylsulfamoyloxy)phenyl]-dimethylsilyl]phenyl] N,N-dimethylsulfamate has a molecular weight of 458.63 g/mol, XLogP of 0.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(dimethylsulfamoyloxy)phenyl]-dimethylsilyl]phenyl] N,N-dimethylsulfamate is sourced from PubChem (CID 90670784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).