2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide

C12H17F3N2OS — CID 134229696

IUPAC2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide
SMILESC[C@@H](NS(=O)C(C)(C)C)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2OS/c1-8(17-19(18)11(2,3)4)9-5-6-16-10(7-9)12(13,14)15/h5-8,17H,1-4H3/t8-,19?/m1/s1
InChIKeyITEODICUHDQKBB-OZUZKCMBSA-N
MW294.34 g/mol
LogP3.21
Rot. Bonds3

About 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide

2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide (PubChem CID 134229696) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide
PubChem CID134229696
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide
SMILESC[C@@H](NS(=O)C(C)(C)C)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2OS/c1-8(17-19(18)11(2,3)4)9-5-6-16-10(7-9)12(13,14)15/h5-8,17H,1-4H3/t8-,19?/m1/s1
InChIKeyITEODICUHDQKBB-OZUZKCMBSA-N
XLogP3.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide (CID 134229696) is 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide is C[C@@H](NS(=O)C(C)(C)C)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide?
The InChIKey is ITEODICUHDQKBB-OZUZKCMBSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-8(17-19(18)11(2,3)4)9-5-6-16-10(7-9)12(13,14)15/h5-8,17H,1-4H3/t8-,19?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide?
2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide has a molecular weight of 294.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 134229696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).