N-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide

C11H16F3NO2S — CID 66991775

IUPACN-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC12CC3CC(CC(C3)C1)C2)C(F)(F)F
InChIInChI=1S/C11H16F3NO2S/c12-11(13,14)18(16,17)15-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,15H,1-6H2
InChIKeyNBOWQFUVBDWIMI-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.39
Rot. Bonds2

About N-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide

N-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 66991775) has the molecular formula C11H16F3NO2S and a molecular weight of 283.32 g/mol. Its IUPAC name is N-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID66991775
Molecular FormulaC11H16F3NO2S
Molecular Weight283.32 g/mol
Exact Mass283.09
IUPAC NameN-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC12CC3CC(CC(C3)C1)C2)C(F)(F)F
InChIInChI=1S/C11H16F3NO2S/c12-11(13,14)18(16,17)15-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,15H,1-6H2
InChIKeyNBOWQFUVBDWIMI-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide (CID 66991775) is N-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NC12CC3CC(CC(C3)C1)C2)C(F)(F)F.
What is the InChIKey of N-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is NBOWQFUVBDWIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2S/c12-11(13,14)18(16,17)15-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,15H,1-6H2.
What are the key properties of N-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide?
N-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 283.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 66991775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).