cyclohexyl N-(trifluoromethylsulfonyl)sulfamate

C7H12F3NO5S2 — CID 122661153

IUPACcyclohexyl N-(trifluoromethylsulfonyl)sulfamate
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)OC1CCCCC1
InChIInChI=1S/C7H12F3NO5S2/c8-7(9,10)17(12,13)11-18(14,15)16-6-4-2-1-3-5-6/h6,11H,1-5H2
InChIKeyCVQVHYWJHYHRCG-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.02
Rot. Bonds4

About cyclohexyl N-(trifluoromethylsulfonyl)sulfamate

cyclohexyl N-(trifluoromethylsulfonyl)sulfamate (PubChem CID 122661153) has the molecular formula C7H12F3NO5S2 and a molecular weight of 311.30 g/mol. Its IUPAC name is cyclohexyl N-(trifluoromethylsulfonyl)sulfamate.

Molecular Properties

Compound Namecyclohexyl N-(trifluoromethylsulfonyl)sulfamate
PubChem CID122661153
Molecular FormulaC7H12F3NO5S2
Molecular Weight311.30 g/mol
Exact Mass311.01
IUPAC Namecyclohexyl N-(trifluoromethylsulfonyl)sulfamate
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)OC1CCCCC1
InChIInChI=1S/C7H12F3NO5S2/c8-7(9,10)17(12,13)11-18(14,15)16-6-4-2-1-3-5-6/h6,11H,1-5H2
InChIKeyCVQVHYWJHYHRCG-UHFFFAOYSA-N
XLogP1.02
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-(trifluoromethylsulfonyl)sulfamate?
The IUPAC name of cyclohexyl N-(trifluoromethylsulfonyl)sulfamate (CID 122661153) is cyclohexyl N-(trifluoromethylsulfonyl)sulfamate.
What is the SMILES notation for cyclohexyl N-(trifluoromethylsulfonyl)sulfamate?
The canonical SMILES for cyclohexyl N-(trifluoromethylsulfonyl)sulfamate is O=S(=O)(NS(=O)(=O)C(F)(F)F)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-(trifluoromethylsulfonyl)sulfamate?
The InChIKey is CVQVHYWJHYHRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO5S2/c8-7(9,10)17(12,13)11-18(14,15)16-6-4-2-1-3-5-6/h6,11H,1-5H2.
What are the key properties of cyclohexyl N-(trifluoromethylsulfonyl)sulfamate?
cyclohexyl N-(trifluoromethylsulfonyl)sulfamate has a molecular weight of 311.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-(trifluoromethylsulfonyl)sulfamate is sourced from PubChem (CID 122661153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).