[2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate

C7H18N2O6S2 — CID 12708925

IUPAC[2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate
SMILESCCCC(C)(COS(N)(=O)=O)COS(N)(=O)=O
InChIInChI=1S/C7H18N2O6S2/c1-3-4-7(2,5-14-16(8,10)11)6-15-17(9,12)13/h3-6H2,1-2H3,(H2,8,10,11)(H2,9,12,13)
InChIKeyQJQKZZCQOQXBQF-UHFFFAOYSA-N
MW290.36 g/mol
LogP-0.77
Rot. Bonds8

About [2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate

[2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate (PubChem CID 12708925) has the molecular formula C7H18N2O6S2 and a molecular weight of 290.36 g/mol. Its IUPAC name is [2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate.

Molecular Properties

Compound Name[2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate
PubChem CID12708925
Molecular FormulaC7H18N2O6S2
Molecular Weight290.36 g/mol
Exact Mass290.06
IUPAC Name[2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate
SMILESCCCC(C)(COS(N)(=O)=O)COS(N)(=O)=O
InChIInChI=1S/C7H18N2O6S2/c1-3-4-7(2,5-14-16(8,10)11)6-15-17(9,12)13/h3-6H2,1-2H3,(H2,8,10,11)(H2,9,12,13)
InChIKeyQJQKZZCQOQXBQF-UHFFFAOYSA-N
XLogP-0.77
TPSA138.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate?
The IUPAC name of [2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate (CID 12708925) is [2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate.
What is the SMILES notation for [2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate?
The canonical SMILES for [2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate is CCCC(C)(COS(N)(=O)=O)COS(N)(=O)=O.
What is the InChIKey of [2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate?
The InChIKey is QJQKZZCQOQXBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O6S2/c1-3-4-7(2,5-14-16(8,10)11)6-15-17(9,12)13/h3-6H2,1-2H3,(H2,8,10,11)(H2,9,12,13).
What are the key properties of [2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate?
[2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate has a molecular weight of 290.36 g/mol, XLogP of -0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate is sourced from PubChem (CID 12708925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).