1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide

C13H19F3N2O4S — CID 136529323

IUPAC1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide
SMILESO=C(NS(=O)(=O)CC(F)(F)F)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C13H19F3N2O4S/c14-13(15,16)8-23(21,22)17-12(20)9-6-11(19)18(7-9)10-4-2-1-3-5-10/h9-10H,1-8H2,(H,17,20)
InChIKeyBQJSUHICOFZEHJ-UHFFFAOYSA-N
MW356.37 g/mol
LogP1.18
Rot. Bonds4

About 1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide

1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide (PubChem CID 136529323) has the molecular formula C13H19F3N2O4S and a molecular weight of 356.37 g/mol. Its IUPAC name is 1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide
PubChem CID136529323
Molecular FormulaC13H19F3N2O4S
Molecular Weight356.37 g/mol
Exact Mass356.10
IUPAC Name1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide
SMILESO=C(NS(=O)(=O)CC(F)(F)F)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C13H19F3N2O4S/c14-13(15,16)8-23(21,22)17-12(20)9-6-11(19)18(7-9)10-4-2-1-3-5-10/h9-10H,1-8H2,(H,17,20)
InChIKeyBQJSUHICOFZEHJ-UHFFFAOYSA-N
XLogP1.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide (CID 136529323) is 1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide is O=C(NS(=O)(=O)CC(F)(F)F)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide?
The InChIKey is BQJSUHICOFZEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O4S/c14-13(15,16)8-23(21,22)17-12(20)9-6-11(19)18(7-9)10-4-2-1-3-5-10/h9-10H,1-8H2,(H,17,20).
What are the key properties of 1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide?
1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 136529323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).