1,1,1-trifluoro-N-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide

C6H11F3N2O3S — CID 58880499

IUPAC1,1,1-trifluoro-N-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
SMILESC[C@H]1NC[C@H](CNS(=O)(=O)C(F)(F)F)O1
InChIInChI=1S/C6H11F3N2O3S/c1-4-10-2-5(14-4)3-11-15(12,13)6(7,8)9/h4-5,10-11H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyLBYFDSXWNGKLEU-CRCLSJGQSA-N
MW248.23 g/mol
LogP-0.24
Rot. Bonds3

About 1,1,1-trifluoro-N-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide

1,1,1-trifluoro-N-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (PubChem CID 58880499) has the molecular formula C6H11F3N2O3S and a molecular weight of 248.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
PubChem CID58880499
Molecular FormulaC6H11F3N2O3S
Molecular Weight248.23 g/mol
Exact Mass248.04
IUPAC Name1,1,1-trifluoro-N-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
SMILESC[C@H]1NC[C@H](CNS(=O)(=O)C(F)(F)F)O1
InChIInChI=1S/C6H11F3N2O3S/c1-4-10-2-5(14-4)3-11-15(12,13)6(7,8)9/h4-5,10-11H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyLBYFDSXWNGKLEU-CRCLSJGQSA-N
XLogP-0.24
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 ≤ 5-0.24
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-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (CID 58880499) is 1,1,1-trifluoro-N-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is C[C@H]1NC[C@H](CNS(=O)(=O)C(F)(F)F)O1.
What is the InChIKey of 1,1,1-trifluoro-N-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The InChIKey is LBYFDSXWNGKLEU-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11F3N2O3S/c1-4-10-2-5(14-4)3-11-15(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-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
1,1,1-trifluoro-N-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide has a molecular weight of 248.23 g/mol, XLogP of -0.24, 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-[[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 58880499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).