1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide

C7H10F3NO2S — CID 102591683

IUPAC1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide
SMILESC[C@@H]1CC=C[C@H]1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2S/c1-5-3-2-4-6(5)11-14(12,13)7(8,9)10/h2,4-6,11H,3H2,1H3/t5-,6-/m1/s1
InChIKeyREWXZCKFQYEJPY-PHDIDXHHSA-N
MW229.22 g/mol
LogP1.39
Rot. Bonds2

About 1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide

1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide (PubChem CID 102591683) has the molecular formula C7H10F3NO2S and a molecular weight of 229.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide
PubChem CID102591683
Molecular FormulaC7H10F3NO2S
Molecular Weight229.22 g/mol
Exact Mass229.04
IUPAC Name1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide
SMILESC[C@@H]1CC=C[C@H]1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2S/c1-5-3-2-4-6(5)11-14(12,13)7(8,9)10/h2,4-6,11H,3H2,1H3/t5-,6-/m1/s1
InChIKeyREWXZCKFQYEJPY-PHDIDXHHSA-N
XLogP1.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.39
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

1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide
CID 143893294
(3R,4R)-3,4-dimethyl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 86276442
1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide
CID 71194432
1,1,1-trifluoro-N-[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methanesulfonamide
CID 71195126
1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide
CID 176856861
N-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide
CID 43597810
5-methylcyclopent-2-en-1-ol
CID 23103323
6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine
CID 167159729
3-tert-butyl-4,5-dimethylcyclohexene
CID 123727998
5-methylcyclopent-2-ene-1-carbaldehyde
CID 75994699
(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-ene-1-carboxylic acid
CID 90478152
1,1,1-trifluoro-N-[[(2S,5R)-2-methyl-1,3-thiazolidin-5-yl]methyl]methanesulfonamide
CID 58880502

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide (CID 102591683) is 1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide is C[C@@H]1CC=C[C@H]1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide?
The InChIKey is REWXZCKFQYEJPY-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H10F3NO2S/c1-5-3-2-4-6(5)11-14(12,13)7(8,9)10/h2,4-6,11H,3H2,1H3/t5-,6-/m1/s1.
What are the key properties of 1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide?
1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide has a molecular weight of 229.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide is sourced from PubChem (CID 102591683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).