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

C11H17F3N2O2S2 — CID 135378154

IUPAC2-methyl-N-[(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
SMILESC[C@H](NS(=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?/m0/s1
InChIKeyNVVUPKLEFJDWKP-DSMWMPORSA-N
MW330.40 g/mol
LogP3.20
Rot. Bonds5

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

2-methyl-N-[(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide (PubChem CID 135378154) has the molecular formula C11H17F3N2O2S2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
PubChem CID135378154
Molecular FormulaC11H17F3N2O2S2
Molecular Weight330.40 g/mol
Exact Mass330.07
IUPAC Name2-methyl-N-[(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
SMILESC[C@H](NS(=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?/m0/s1
InChIKeyNVVUPKLEFJDWKP-DSMWMPORSA-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 2-methyl-N-[(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide (CID 135378154) is 2-methyl-N-[(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide is C[C@H](NS(=O)C(C)(C)C)c1cnc(OCC(F)(F)F)s1.
What is the InChIKey of 2-methyl-N-[(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
The InChIKey is NVVUPKLEFJDWKP-DSMWMPORSA-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?/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
2-methyl-N-[(1S)-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 2-methyl-N-[(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 135378154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).