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

C5H9F3N2O3S — CID 71195126

IUPAC1,1,1-trifluoro-N-[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methanesulfonamide
SMILESC[C@H]1NC[C@H](NS(=O)(=O)C(F)(F)F)O1
InChIInChI=1S/C5H9F3N2O3S/c1-3-9-2-4(13-3)10-14(11,12)5(6,7)8/h3-4,9-10H,2H2,1H3/t3-,4+/m0/s1
InChIKeyYZRSWQUTMNTDEN-IUYQGCFVSA-N
MW234.20 g/mol
LogP-0.28
Rot. Bonds2

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

1,1,1-trifluoro-N-[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methanesulfonamide (PubChem CID 71195126) has the molecular formula C5H9F3N2O3S and a molecular weight of 234.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methanesulfonamide
PubChem CID71195126
Molecular FormulaC5H9F3N2O3S
Molecular Weight234.20 g/mol
Exact Mass234.03
IUPAC Name1,1,1-trifluoro-N-[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methanesulfonamide
SMILESC[C@H]1NC[C@H](NS(=O)(=O)C(F)(F)F)O1
InChIInChI=1S/C5H9F3N2O3S/c1-3-9-2-4(13-3)10-14(11,12)5(6,7)8/h3-4,9-10H,2H2,1H3/t3-,4+/m0/s1
InChIKeyYZRSWQUTMNTDEN-IUYQGCFVSA-N
XLogP-0.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 5-0.28
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]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methanesulfonamide (CID 71195126) is 1,1,1-trifluoro-N-[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methanesulfonamide is C[C@H]1NC[C@H](NS(=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]methanesulfonamide?
The InChIKey is YZRSWQUTMNTDEN-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H9F3N2O3S/c1-3-9-2-4(13-3)10-14(11,12)5(6,7)8/h3-4,9-10H,2H2,1H3/t3-,4+/m0/s1.
What are the key properties of 1,1,1-trifluoro-N-[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methanesulfonamide?
1,1,1-trifluoro-N-[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methanesulfonamide has a molecular weight of 234.20 g/mol, XLogP of -0.28, 2 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]methanesulfonamide is sourced from PubChem (CID 71195126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).