3-[amino(dihydroxy)-λ4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine

C6H13F3N2O3S — CID 163275583

IUPAC3-[amino(dihydroxy)-λ4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine
SMILESCC1OC(CC(F)(F)F)CN1S(N)(O)O
InChIInChI=1S/C6H13F3N2O3S/c1-4-11(15(10,12)13)3-5(14-4)2-6(7,8)9/h4-5,12-13H,2-3,10H2,1H3
InChIKeyHXGZKUCOBKYAGN-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.52
Rot. Bonds2

About 3-[amino(dihydroxy)-λ4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine

3-[amino(dihydroxy)-λ4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine (PubChem CID 163275583) has the molecular formula C6H13F3N2O3S and a molecular weight of 250.24 g/mol. Its IUPAC name is 3-[amino(dihydroxy)-λ4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-[amino(dihydroxy)-λ4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine
PubChem CID163275583
Molecular FormulaC6H13F3N2O3S
Molecular Weight250.24 g/mol
Exact Mass250.06
IUPAC Name3-[amino(dihydroxy)-λ4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine
SMILESCC1OC(CC(F)(F)F)CN1S(N)(O)O
InChIInChI=1S/C6H13F3N2O3S/c1-4-11(15(10,12)13)3-5(14-4)2-6(7,8)9/h4-5,12-13H,2-3,10H2,1H3
InChIKeyHXGZKUCOBKYAGN-UHFFFAOYSA-N
XLogP1.52
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(dihydroxy)-λ4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine?
The IUPAC name of 3-[amino(dihydroxy)-λ4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine (CID 163275583) is 3-[amino(dihydroxy)-λ4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine.
What is the SMILES notation for 3-[amino(dihydroxy)-λ4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine?
The canonical SMILES for 3-[amino(dihydroxy)-λ4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine is CC1OC(CC(F)(F)F)CN1S(N)(O)O.
What is the InChIKey of 3-[amino(dihydroxy)-λ4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine?
The InChIKey is HXGZKUCOBKYAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O3S/c1-4-11(15(10,12)13)3-5(14-4)2-6(7,8)9/h4-5,12-13H,2-3,10H2,1H3.
What are the key properties of 3-[amino(dihydroxy)-λ4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine?
3-[amino(dihydroxy)-λ4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine has a molecular weight of 250.24 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(dihydroxy)-λ4-sulfanyl]-2-methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine is sourced from PubChem (CID 163275583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).