N-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide

C10H16F3NO2S — CID 146657146

IUPACN-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCCC1C2CCC1CC2)C(F)(F)F
InChIInChI=1S/C10H16F3NO2S/c11-10(12,13)17(15,16)14-6-5-9-7-1-2-8(9)4-3-7/h7-9,14H,1-6H2
InChIKeyUKJCWFNCUUZGTI-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.25
Rot. Bonds4

About N-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide

N-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 146657146) has the molecular formula C10H16F3NO2S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID146657146
Molecular FormulaC10H16F3NO2S
Molecular Weight271.30 g/mol
Exact Mass271.09
IUPAC NameN-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCCC1C2CCC1CC2)C(F)(F)F
InChIInChI=1S/C10H16F3NO2S/c11-10(12,13)17(15,16)14-6-5-9-7-1-2-8(9)4-3-7/h7-9,14H,1-6H2
InChIKeyUKJCWFNCUUZGTI-UHFFFAOYSA-N
XLogP2.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide
CID 20871006
N-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 22094263
1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide
CID 23541518
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide
CID 67574876
N-[(5,6-ditert-butyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 70821811
N-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide
CID 70898681
1,1,1-trifluoro-N-(3-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide
CID 71076010
N-[3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propyl]-1,1,1-trifluoromethanesulfonamide
CID 71128736
N-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 71128738
N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 126722773
N-[3-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propyl]-1,1,1-trifluoromethanesulfonamide
CID 134255084

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide (CID 146657146) is N-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCCC1C2CCC1CC2)C(F)(F)F.
What is the InChIKey of N-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is UKJCWFNCUUZGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2S/c11-10(12,13)17(15,16)14-6-5-9-7-1-2-8(9)4-3-7/h7-9,14H,1-6H2.
What are the key properties of N-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 271.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 146657146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).