N-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide

C9H14F3NO2S — CID 117063867

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCCC1=CCCCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO2S/c10-9(11,12)16(14,15)13-7-6-8-4-2-1-3-5-8/h4,13H,1-3,5-7H2
InChIKeyOYHYLFFTFVVXJA-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.32
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide

N-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 117063867) has the molecular formula C9H14F3NO2S and a molecular weight of 257.28 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID117063867
Molecular FormulaC9H14F3NO2S
Molecular Weight257.28 g/mol
Exact Mass257.07
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCCC1=CCCCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO2S/c10-9(11,12)16(14,15)13-7-6-8-4-2-1-3-5-8/h4,13H,1-3,5-7H2
InChIKeyOYHYLFFTFVVXJA-UHFFFAOYSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-cyclohexen-1-yl)ethyl]methanesulfonamide
CID 3246760
N-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide
CID 138980335
N-(cyclohex-2-en-1-ylmethyl)-1,1,1-trifluoromethanesulfonamide
CID 71042682
N-(2-cyclohex-3-en-1-ylethyl)-1,1,1-trifluoromethanesulfonamide
CID 71136950
3-Amino-3-(cyclohexen-1-yl)-1,1-difluoropropane-1-sulfonic acid
CID 143236351
N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropane-2-sulfonamide
CID 60069844

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide (CID 117063867) is N-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCCC1=CCCCC1)C(F)(F)F.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is OYHYLFFTFVVXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2S/c10-9(11,12)16(14,15)13-7-6-8-4-2-1-3-5-8/h4,13H,1-3,5-7H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 257.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 117063867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).