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

C6H11F3N2O3S — CID 167049009

IUPAC2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide
SMILESCC1OC(CC(F)(F)F)CN1S(N)(=O)=O
InChIInChI=1S/C6H11F3N2O3S/c1-4-11(15(10,12)13)3-5(14-4)2-6(7,8)9/h4-5H,2-3H2,1H3,(H2,10,12,13)
InChIKeyAPVKWYAIXTXPOZ-UHFFFAOYSA-N
MW248.23 g/mol
LogP0.19
Rot. Bonds2

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

2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide (PubChem CID 167049009) has the molecular formula C6H11F3N2O3S and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide
PubChem CID167049009
Molecular FormulaC6H11F3N2O3S
Molecular Weight248.23 g/mol
Exact Mass248.04
IUPAC Name2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide
SMILESCC1OC(CC(F)(F)F)CN1S(N)(=O)=O
InChIInChI=1S/C6H11F3N2O3S/c1-4-11(15(10,12)13)3-5(14-4)2-6(7,8)9/h4-5H,2-3H2,1H3,(H2,10,12,13)
InChIKeyAPVKWYAIXTXPOZ-UHFFFAOYSA-N
XLogP0.19
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 50.19
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
(R)-3-(Difluoromethoxy)pyrrolidine-1-sulfonyl chloride
CID 165149945
(5R)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide
CID 167048995
2-Methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide
CID 167049011
(5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide
CID 167049068
3-Fluoro-4-methoxypyrrolidine-1-sulfonamide
CID 167526416
3-(Difluoromethoxy)pyrrolidine-1-sulfonyl chloride
CID 175428884
(3S)-3-(difluoromethoxy)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 121537739
3-Propan-2-yloxypyrrolidine-1-sulfonamide
CID 68267293
3-Methoxypyrrolidine-1-sulfonamide
CID 68307521
(S)-3-Methoxypyrrolidine-1-sulfonamide
CID 90015831

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide?
The IUPAC name of 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide (CID 167049009) is 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide is CC1OC(CC(F)(F)F)CN1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide?
The InChIKey is APVKWYAIXTXPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O3S/c1-4-11(15(10,12)13)3-5(14-4)2-6(7,8)9/h4-5H,2-3H2,1H3,(H2,10,12,13).
What are the key properties of 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide?
2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide has a molecular weight of 248.23 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide is sourced from PubChem (CID 167049009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).