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

C12H17F3N2OS — CID 134237967

IUPAC(S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide
SMILESCC(N[S@@](=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-/m0/s1
InChIKeyITEODICUHDQKBB-AREVDXOESA-N
MW294.34 g/mol
LogP3.21
Rot. Bonds3

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

(S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide (PubChem CID 134237967) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is (S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide
PubChem CID134237967
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name(S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide
SMILESCC(N[S@@](=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-/m0/s1
InChIKeyITEODICUHDQKBB-AREVDXOESA-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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Related Compounds

2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide
CID 134229696
N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86640807
(R)-N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 59278411
2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide
CID 166760977
(R)-2-methyl-N-[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
CID 90451760
N-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 134229704
(R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 122491233
N-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine
CID 162617603
(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
CID 121397426
(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine
CID 97053211
(S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen
CID 157335070
(R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163278753

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide (CID 134237967) is (S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide is CC(N[S@@](=O)C(C)(C)C)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of (S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide?
The InChIKey is ITEODICUHDQKBB-AREVDXOESA-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-/m0/s1.
What are the key properties of (S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide?
(S)-2-methyl-N-[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 (S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 134237967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).