2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide

C5H9F3N2O3S — CID 167049011

IUPAC2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide
SMILESCC1OC(C(F)(F)F)CN1S(N)(=O)=O
InChIInChI=1S/C5H9F3N2O3S/c1-3-10(14(9,11)12)2-4(13-3)5(6,7)8/h3-4H,2H2,1H3,(H2,9,11,12)
InChIKeyWBDLDUTUUUAGAQ-UHFFFAOYSA-N
MW234.20 g/mol
LogP-0.20
Rot. Bonds1

About 2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide

2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide (PubChem CID 167049011) has the molecular formula C5H9F3N2O3S and a molecular weight of 234.20 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide
PubChem CID167049011
Molecular FormulaC5H9F3N2O3S
Molecular Weight234.20 g/mol
Exact Mass234.03
IUPAC Name2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide
SMILESCC1OC(C(F)(F)F)CN1S(N)(=O)=O
InChIInChI=1S/C5H9F3N2O3S/c1-3-10(14(9,11)12)2-4(13-3)5(6,7)8/h3-4H,2H2,1H3,(H2,9,11,12)
InChIKeyWBDLDUTUUUAGAQ-UHFFFAOYSA-N
XLogP-0.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Difluoromethoxy)pyrrolidine-1-sulfonamide
CID 130675401
3-[Amino(dihydroxy)-lambda4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine
CID 163275583
(5R)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide
CID 167048995
2-Methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide
CID 167049009
(5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide
CID 167049068
3-Fluoro-4-methoxypyrrolidine-1-sulfonamide
CID 167526416
(3S)-3-(difluoromethoxy)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 121537739

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide (CID 167049011) is 2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide is CC1OC(C(F)(F)F)CN1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide?
The InChIKey is WBDLDUTUUUAGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O3S/c1-3-10(14(9,11)12)2-4(13-3)5(6,7)8/h3-4H,2H2,1H3,(H2,9,11,12).
What are the key properties of 2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide?
2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide has a molecular weight of 234.20 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide is sourced from PubChem (CID 167049011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).