2-cyclohexyl-2-(trifluoromethylsulfonylamino)acetic acid

C9H14F3NO4S — CID 54901727

IUPAC2-cyclohexyl-2-(trifluoromethylsulfonylamino)acetic acid
SMILESO=C(O)C(NS(=O)(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)18(16,17)13-7(8(14)15)6-4-2-1-3-5-6/h6-7,13H,1-5H2,(H,14,15)
InChIKeyYAIPMNLSTDLTRK-UHFFFAOYSA-N
MW289.28 g/mol
LogP1.46
Rot. Bonds4

About 2-cyclohexyl-2-(trifluoromethylsulfonylamino)acetic acid

2-cyclohexyl-2-(trifluoromethylsulfonylamino)acetic acid (PubChem CID 54901727) has the molecular formula C9H14F3NO4S and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-cyclohexyl-2-(trifluoromethylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(trifluoromethylsulfonylamino)acetic acid
PubChem CID54901727
Molecular FormulaC9H14F3NO4S
Molecular Weight289.28 g/mol
Exact Mass289.06
IUPAC Name2-cyclohexyl-2-(trifluoromethylsulfonylamino)acetic acid
SMILESO=C(O)C(NS(=O)(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)18(16,17)13-7(8(14)15)6-4-2-1-3-5-6/h6-7,13H,1-5H2,(H,14,15)
InChIKeyYAIPMNLSTDLTRK-UHFFFAOYSA-N
XLogP1.46
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(trifluoromethylsulfonylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(trifluoromethylsulfonylamino)acetic acid (CID 54901727) is 2-cyclohexyl-2-(trifluoromethylsulfonylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(trifluoromethylsulfonylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(trifluoromethylsulfonylamino)acetic acid is O=C(O)C(NS(=O)(=O)C(F)(F)F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(trifluoromethylsulfonylamino)acetic acid?
The InChIKey is YAIPMNLSTDLTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4S/c10-9(11,12)18(16,17)13-7(8(14)15)6-4-2-1-3-5-6/h6-7,13H,1-5H2,(H,14,15).
What are the key properties of 2-cyclohexyl-2-(trifluoromethylsulfonylamino)acetic acid?
2-cyclohexyl-2-(trifluoromethylsulfonylamino)acetic acid has a molecular weight of 289.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(trifluoromethylsulfonylamino)acetic acid is sourced from PubChem (CID 54901727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).