N-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide

C6H8F3NO2S — CID 14688667

IUPACN-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(N[C@@H]1C=CCC1)C(F)(F)F
InChIInChI=1S/C6H8F3NO2S/c7-6(8,9)13(11,12)10-5-3-1-2-4-5/h1,3,5,10H,2,4H2/t5-/m1/s1
InChIKeyNFYUJMBZVSBDSK-RXMQYKEDSA-N
MW215.20 g/mol
LogP1.14
Rot. Bonds2

About N-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide

N-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 14688667) has the molecular formula C6H8F3NO2S and a molecular weight of 215.20 g/mol. Its IUPAC name is N-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide
PubChem CID14688667
Molecular FormulaC6H8F3NO2S
Molecular Weight215.20 g/mol
Exact Mass215.02
IUPAC NameN-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(N[C@@H]1C=CCC1)C(F)(F)F
InChIInChI=1S/C6H8F3NO2S/c7-6(8,9)13(11,12)10-5-3-1-2-4-5/h1,3,5,10H,2,4H2/t5-/m1/s1
InChIKeyNFYUJMBZVSBDSK-RXMQYKEDSA-N
XLogP1.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide (CID 14688667) is N-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(N[C@@H]1C=CCC1)C(F)(F)F.
What is the InChIKey of N-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is NFYUJMBZVSBDSK-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8F3NO2S/c7-6(8,9)13(11,12)10-5-3-1-2-4-5/h1,3,5,10H,2,4H2/t5-/m1/s1.
What are the key properties of N-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide?
N-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 215.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 14688667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).