2-adamantyl N-(trifluoromethylsulfonyl)sulfamate

C11H16F3NO5S2 — CID 122661154

IUPAC2-adamantyl N-(trifluoromethylsulfonyl)sulfamate
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H16F3NO5S2/c12-11(13,14)21(16,17)15-22(18,19)20-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10,15H,1-5H2
InChIKeyBIOZDABBKVXATG-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.51
Rot. Bonds4

About 2-adamantyl N-(trifluoromethylsulfonyl)sulfamate

2-adamantyl N-(trifluoromethylsulfonyl)sulfamate (PubChem CID 122661154) has the molecular formula C11H16F3NO5S2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-adamantyl N-(trifluoromethylsulfonyl)sulfamate.

Molecular Properties

Compound Name2-adamantyl N-(trifluoromethylsulfonyl)sulfamate
PubChem CID122661154
Molecular FormulaC11H16F3NO5S2
Molecular Weight363.38 g/mol
Exact Mass363.04
IUPAC Name2-adamantyl N-(trifluoromethylsulfonyl)sulfamate
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H16F3NO5S2/c12-11(13,14)21(16,17)15-22(18,19)20-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10,15H,1-5H2
InChIKeyBIOZDABBKVXATG-UHFFFAOYSA-N
XLogP1.51
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl N-(trifluoromethylsulfonyl)sulfamate?
The IUPAC name of 2-adamantyl N-(trifluoromethylsulfonyl)sulfamate (CID 122661154) is 2-adamantyl N-(trifluoromethylsulfonyl)sulfamate.
What is the SMILES notation for 2-adamantyl N-(trifluoromethylsulfonyl)sulfamate?
The canonical SMILES for 2-adamantyl N-(trifluoromethylsulfonyl)sulfamate is O=S(=O)(NS(=O)(=O)C(F)(F)F)OC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl N-(trifluoromethylsulfonyl)sulfamate?
The InChIKey is BIOZDABBKVXATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO5S2/c12-11(13,14)21(16,17)15-22(18,19)20-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10,15H,1-5H2.
What are the key properties of 2-adamantyl N-(trifluoromethylsulfonyl)sulfamate?
2-adamantyl N-(trifluoromethylsulfonyl)sulfamate has a molecular weight of 363.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl N-(trifluoromethylsulfonyl)sulfamate is sourced from PubChem (CID 122661154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).