N-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide

C9H16FNO2S — CID 70898681

IUPACN-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide
SMILESO=S(=O)(CF)NC[C@@H]1C[C@H]2CCC1C2
InChIInChI=1S/C9H16FNO2S/c10-6-14(12,13)11-5-9-4-7-1-2-8(9)3-7/h7-9,11H,1-6H2/t7-,8?,9-/m0/s1
InChIKeyPWKFTGKLFWNPFA-SMOXQLQSSA-N
MW221.30 g/mol
LogP1.27
Rot. Bonds4

About N-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide

N-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide (PubChem CID 70898681) has the molecular formula C9H16FNO2S and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide.

Molecular Properties

Compound NameN-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide
PubChem CID70898681
Molecular FormulaC9H16FNO2S
Molecular Weight221.30 g/mol
Exact Mass221.09
IUPAC NameN-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide
SMILESO=S(=O)(CF)NC[C@@H]1C[C@H]2CCC1C2
InChIInChI=1S/C9H16FNO2S/c10-6-14(12,13)11-5-9-4-7-1-2-8(9)3-7/h7-9,11H,1-6H2/t7-,8?,9-/m0/s1
InChIKeyPWKFTGKLFWNPFA-SMOXQLQSSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide?
The IUPAC name of N-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide (CID 70898681) is N-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide.
What is the SMILES notation for N-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide?
The canonical SMILES for N-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide is O=S(=O)(CF)NC[C@@H]1C[C@H]2CCC1C2.
What is the InChIKey of N-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide?
The InChIKey is PWKFTGKLFWNPFA-SMOXQLQSSA-N. The full InChI is InChI=1S/C9H16FNO2S/c10-6-14(12,13)11-5-9-4-7-1-2-8(9)3-7/h7-9,11H,1-6H2/t7-,8?,9-/m0/s1.
What are the key properties of N-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide?
N-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide has a molecular weight of 221.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-1-fluoromethanesulfonamide is sourced from PubChem (CID 70898681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).