2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide

C13H19F3N2O2S — CID 67509270

IUPAC2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1cccc(OCC(F)(F)F)n1
InChIInChI=1S/C13H19F3N2O2S/c1-9(18-21(19)12(2,3)4)10-6-5-7-11(17-10)20-8-13(14,15)16/h5-7,9,18H,8H2,1-4H3
InChIKeyDUWXZTBVXJYWDQ-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.14
Rot. Bonds5

About 2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide

2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide (PubChem CID 67509270) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide
PubChem CID67509270
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC Name2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1cccc(OCC(F)(F)F)n1
InChIInChI=1S/C13H19F3N2O2S/c1-9(18-21(19)12(2,3)4)10-6-5-7-11(17-10)20-8-13(14,15)16/h5-7,9,18H,8H2,1-4H3
InChIKeyDUWXZTBVXJYWDQ-UHFFFAOYSA-N
XLogP3.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide (CID 67509270) is 2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide is CC(NS(=O)C(C)(C)C)c1cccc(OCC(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide?
The InChIKey is DUWXZTBVXJYWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-9(18-21(19)12(2,3)4)10-6-5-7-11(17-10)20-8-13(14,15)16/h5-7,9,18H,8H2,1-4H3.
What are the key properties of 2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide?
2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide has a molecular weight of 324.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 67509270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).