1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide

C6H11F3N2O3S — CID 93212686

IUPAC1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide
SMILESCO[C@H]1CNC[C@@H]1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c1-14-5-3-10-2-4(5)11-15(12,13)6(7,8)9/h4-5,10-11H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyLDHKGQUGAARGMG-WHFBIAKZSA-N
MW248.23 g/mol
LogP-0.59
Rot. Bonds3

About 1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide

1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide (PubChem CID 93212686) has the molecular formula C6H11F3N2O3S and a molecular weight of 248.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide
PubChem CID93212686
Molecular FormulaC6H11F3N2O3S
Molecular Weight248.23 g/mol
Exact Mass248.04
IUPAC Name1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide
SMILESCO[C@H]1CNC[C@@H]1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c1-14-5-3-10-2-4(5)11-15(12,13)6(7,8)9/h4-5,10-11H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyLDHKGQUGAARGMG-WHFBIAKZSA-N
XLogP-0.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide (CID 93212686) is 1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide is CO[C@H]1CNC[C@@H]1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide?
The InChIKey is LDHKGQUGAARGMG-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11F3N2O3S/c1-14-5-3-10-2-4(5)11-15(12,13)6(7,8)9/h4-5,10-11H,2-3H2,1H3/t4-,5-/m0/s1.
What are the key properties of 1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide?
1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide has a molecular weight of 248.23 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 93212686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).