1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C8H13F3N2O3S — CID 51075767

IUPAC1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O3S/c1-17(15,16)13-4-2-3-6(13)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)
InChIKeyPRYJDKHASYGRIW-UHFFFAOYSA-N
MW274.26 g/mol
LogP0.09
Rot. Bonds3

About 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 51075767) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID51075767
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC Name1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O3S/c1-17(15,16)13-4-2-3-6(13)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)
InChIKeyPRYJDKHASYGRIW-UHFFFAOYSA-N
XLogP0.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 51075767) is 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCC1C(=O)NCC(F)(F)F.
What is the InChIKey of 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is PRYJDKHASYGRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c1-17(15,16)13-4-2-3-6(13)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14).
What are the key properties of 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 274.26 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51075767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).