N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide

C7H13F3N2O2S — CID 65421140

IUPACN-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)C1CCNC1
InChIInChI=1S/C7H13F3N2O2S/c1-12(5-7(8,9)10)15(13,14)6-2-3-11-4-6/h6,11H,2-5H2,1H3
InChIKeyVMLZOEIEFSWAKO-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.17
Rot. Bonds3

About N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide

N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide (PubChem CID 65421140) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide
PubChem CID65421140
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)C1CCNC1
InChIInChI=1S/C7H13F3N2O2S/c1-12(5-7(8,9)10)15(13,14)6-2-3-11-4-6/h6,11H,2-5H2,1H3
InChIKeyVMLZOEIEFSWAKO-UHFFFAOYSA-N
XLogP0.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide (CID 65421140) is N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)C1CCNC1.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide?
The InChIKey is VMLZOEIEFSWAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-12(5-7(8,9)10)15(13,14)6-2-3-11-4-6/h6,11H,2-5H2,1H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide?
N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide has a molecular weight of 246.25 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65421140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).