(R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide

C11H17F3N2O2S2 — CID 135378249

IUPAC(R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C11H17F3N2O2S2/c1-7(16-20(17)10(2,3)4)8-5-15-9(19-8)18-6-11(12,13)14/h5,7,16H,6H2,1-4H3/t7-,20-/m1/s1
InChIKeyNVVUPKLEFJDWKP-JLPJYYFKSA-N
MW330.40 g/mol
LogP3.20
Rot. Bonds5

About (R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide (PubChem CID 135378249) has the molecular formula C11H17F3N2O2S2 and a molecular weight of 330.40 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
PubChem CID135378249
Molecular FormulaC11H17F3N2O2S2
Molecular Weight330.40 g/mol
Exact Mass330.07
IUPAC Name(R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C11H17F3N2O2S2/c1-7(16-20(17)10(2,3)4)8-5-15-9(19-8)18-6-11(12,13)14/h5,7,16H,6H2,1-4H3/t7-,20-/m1/s1
InChIKeyNVVUPKLEFJDWKP-JLPJYYFKSA-N
XLogP3.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide (CID 135378249) is (R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide is C[C@@H](N[S@](=O)C(C)(C)C)c1cnc(OCC(F)(F)F)s1.
What is the InChIKey of (R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
The InChIKey is NVVUPKLEFJDWKP-JLPJYYFKSA-N. The full InChI is InChI=1S/C11H17F3N2O2S2/c1-7(16-20(17)10(2,3)4)8-5-15-9(19-8)18-6-11(12,13)14/h5,7,16H,6H2,1-4H3/t7-,20-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide has a molecular weight of 330.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 135378249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).