N-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide

C12H20F3NO2S — CID 138980335

IUPACN-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCC[C@H](CCC1=CCCCC1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H20F3NO2S/c1-2-11(16-19(17,18)12(13,14)15)9-8-10-6-4-3-5-7-10/h6,11,16H,2-5,7-9H2,1H3/t11-/m1/s1
InChIKeyZPFBMAHGKRVZKD-LLVKDONJSA-N
MW299.36 g/mol
LogP3.48
Rot. Bonds6

About N-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide

N-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 138980335) has the molecular formula C12H20F3NO2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide
PubChem CID138980335
Molecular FormulaC12H20F3NO2S
Molecular Weight299.36 g/mol
Exact Mass299.12
IUPAC NameN-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCC[C@H](CCC1=CCCCC1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H20F3NO2S/c1-2-11(16-19(17,18)12(13,14)15)9-8-10-6-4-3-5-7-10/h6,11,16H,2-5,7-9H2,1H3/t11-/m1/s1
InChIKeyZPFBMAHGKRVZKD-LLVKDONJSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.48
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
1,1,1-trifluoro-N-oct-1-en-4-ylmethanesulfonamide
CID 134875275
N-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide
CID 138980190
1,1,1-trifluoro-N-(6-iodo-3-isopropyl-6-methylcyclohex-2-en-1-yl)methanesulfonamide
CID 177256574
3-Amino-3-(cyclohexen-1-yl)-1,1-difluoropropane-1-sulfonic acid
CID 143236351
N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388637
N-[2-(cyclohexen-1-yl)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 117063867
N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropane-2-sulfonamide
CID 60069844
N-(4-ethylidenecyclohexyl)methanesulfonamide
CID 71122467
N-[2-(cyclohexen-1-yl)ethylsulfamoyl]propan-2-amine
CID 84283440

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide (CID 138980335) is N-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide is CC[C@H](CCC1=CCCCC1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ZPFBMAHGKRVZKD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20F3NO2S/c1-2-11(16-19(17,18)12(13,14)15)9-8-10-6-4-3-5-7-10/h6,11,16H,2-5,7-9H2,1H3/t11-/m1/s1.
What are the key properties of N-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide?
N-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 299.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 138980335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).