1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide

C6H11F3N2O2S — CID 71194432

IUPAC1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide
SMILESC[C@@H]1C[C@@H](NS(=O)(=O)C(F)(F)F)CN1
InChIInChI=1S/C6H11F3N2O2S/c1-4-2-5(3-10-4)11-14(12,13)6(7,8)9/h4-5,10-11H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyUJJSYJLUHIBJRQ-RFZPGFLSSA-N
MW232.23 g/mol
LogP0.18
Rot. Bonds2

About 1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide

1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 71194432) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide
PubChem CID71194432
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC Name1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide
SMILESC[C@@H]1C[C@@H](NS(=O)(=O)C(F)(F)F)CN1
InChIInChI=1S/C6H11F3N2O2S/c1-4-2-5(3-10-4)11-14(12,13)6(7,8)9/h4-5,10-11H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyUJJSYJLUHIBJRQ-RFZPGFLSSA-N
XLogP0.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide (CID 71194432) is 1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide is C[C@@H]1C[C@@H](NS(=O)(=O)C(F)(F)F)CN1.
What is the InChIKey of 1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is UJJSYJLUHIBJRQ-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c1-4-2-5(3-10-4)11-14(12,13)6(7,8)9/h4-5,10-11H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of 1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide?
1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 232.23 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 71194432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).