2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide

C9H16F3NO3S — CID 163930821

IUPAC2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide
SMILESO=S(=O)([NH+]([O-])CCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)17(15,16)13(14)7-6-8-4-2-1-3-5-8/h8,13H,1-7H2
InChIKeyRINSLPCHXAEWIU-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.19
Rot. Bonds4

About 2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide

2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide (PubChem CID 163930821) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide.

Molecular Properties

Compound Name2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide
PubChem CID163930821
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC Name2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide
SMILESO=S(=O)([NH+]([O-])CCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)17(15,16)13(14)7-6-8-4-2-1-3-5-8/h8,13H,1-7H2
InChIKeyRINSLPCHXAEWIU-UHFFFAOYSA-N
XLogP1.19
TPSA61.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide?
The IUPAC name of 2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide (CID 163930821) is 2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide.
What is the SMILES notation for 2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide?
The canonical SMILES for 2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide is O=S(=O)([NH+]([O-])CCC1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide?
The InChIKey is RINSLPCHXAEWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c10-9(11,12)17(15,16)13(14)7-6-8-4-2-1-3-5-8/h8,13H,1-7H2.
What are the key properties of 2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide?
2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide has a molecular weight of 275.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide is sourced from PubChem (CID 163930821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).