[2-methyl-4-[(3-methyl-4-sulfamoyloxyphenyl)-dipropylsilyl]phenyl] sulfamate

C20H30N2O6S2Si — CID 90670790

IUPAC[2-methyl-4-[(3-methyl-4-sulfamoyloxyphenyl)-dipropylsilyl]phenyl] sulfamate
SMILESCCC[Si](CCC)(c1ccc(OS(N)(=O)=O)c(C)c1)c1ccc(OS(N)(=O)=O)c(C)c1
InChIInChI=1S/C20H30N2O6S2Si/c1-5-11-31(12-6-2,17-7-9-19(15(3)13-17)27-29(21,23)24)18-8-10-20(16(4)14-18)28-30(22,25)26/h7-10,13-14H,5-6,11-12H2,1-4H3,(H2,21,23,24)(H2,22,25,26)
InChIKeyFKBAYNOSXMNLQY-UHFFFAOYSA-N
MW486.69 g/mol
LogP1.85
Rot. Bonds10

About [2-methyl-4-[(3-methyl-4-sulfamoyloxyphenyl)-dipropylsilyl]phenyl] sulfamate

[2-methyl-4-[(3-methyl-4-sulfamoyloxyphenyl)-dipropylsilyl]phenyl] sulfamate (PubChem CID 90670790) has the molecular formula C20H30N2O6S2Si and a molecular weight of 486.69 g/mol. Its IUPAC name is [2-methyl-4-[(3-methyl-4-sulfamoyloxyphenyl)-dipropylsilyl]phenyl] sulfamate.

Molecular Properties

Compound Name[2-methyl-4-[(3-methyl-4-sulfamoyloxyphenyl)-dipropylsilyl]phenyl] sulfamate
PubChem CID90670790
Molecular FormulaC20H30N2O6S2Si
Molecular Weight486.69 g/mol
Exact Mass486.13
IUPAC Name[2-methyl-4-[(3-methyl-4-sulfamoyloxyphenyl)-dipropylsilyl]phenyl] sulfamate
SMILESCCC[Si](CCC)(c1ccc(OS(N)(=O)=O)c(C)c1)c1ccc(OS(N)(=O)=O)c(C)c1
InChIInChI=1S/C20H30N2O6S2Si/c1-5-11-31(12-6-2,17-7-9-19(15(3)13-17)27-29(21,23)24)18-8-10-20(16(4)14-18)28-30(22,25)26/h7-10,13-14H,5-6,11-12H2,1-4H3,(H2,21,23,24)(H2,22,25,26)
InChIKeyFKBAYNOSXMNLQY-UHFFFAOYSA-N
XLogP1.85
TPSA138.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.69
LogP ≤ 51.85
H-Bond Donors ≤ 52
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 [2-methyl-4-[(3-methyl-4-sulfamoyloxyphenyl)-dipropylsilyl]phenyl] sulfamate?
The IUPAC name of [2-methyl-4-[(3-methyl-4-sulfamoyloxyphenyl)-dipropylsilyl]phenyl] sulfamate (CID 90670790) is [2-methyl-4-[(3-methyl-4-sulfamoyloxyphenyl)-dipropylsilyl]phenyl] sulfamate.
What is the SMILES notation for [2-methyl-4-[(3-methyl-4-sulfamoyloxyphenyl)-dipropylsilyl]phenyl] sulfamate?
The canonical SMILES for [2-methyl-4-[(3-methyl-4-sulfamoyloxyphenyl)-dipropylsilyl]phenyl] sulfamate is CCC[Si](CCC)(c1ccc(OS(N)(=O)=O)c(C)c1)c1ccc(OS(N)(=O)=O)c(C)c1.
What is the InChIKey of [2-methyl-4-[(3-methyl-4-sulfamoyloxyphenyl)-dipropylsilyl]phenyl] sulfamate?
The InChIKey is FKBAYNOSXMNLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O6S2Si/c1-5-11-31(12-6-2,17-7-9-19(15(3)13-17)27-29(21,23)24)18-8-10-20(16(4)14-18)28-30(22,25)26/h7-10,13-14H,5-6,11-12H2,1-4H3,(H2,21,23,24)(H2,22,25,26).
What are the key properties of [2-methyl-4-[(3-methyl-4-sulfamoyloxyphenyl)-dipropylsilyl]phenyl] sulfamate?
[2-methyl-4-[(3-methyl-4-sulfamoyloxyphenyl)-dipropylsilyl]phenyl] sulfamate has a molecular weight of 486.69 g/mol, XLogP of 1.85, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[(3-methyl-4-sulfamoyloxyphenyl)-dipropylsilyl]phenyl] sulfamate is sourced from PubChem (CID 90670790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).