2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide

C11H15F3N2OS — CID 134988458

IUPAC2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](c1cccnc1)C(F)(F)F
InChIInChI=1S/C11H15F3N2OS/c1-10(2,3)18(17)16-9(11(12,13)14)8-5-4-6-15-7-8/h4-7,9,16H,1-3H3/t9-,18?/m0/s1
InChIKeyCVEUQYLLXOLCET-JUGYALQGSA-N
MW280.31 g/mol
LogP2.74
Rot. Bonds3

About 2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide

2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide (PubChem CID 134988458) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide
PubChem CID134988458
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](c1cccnc1)C(F)(F)F
InChIInChI=1S/C11H15F3N2OS/c1-10(2,3)18(17)16-9(11(12,13)14)8-5-4-6-15-7-8/h4-7,9,16H,1-3H3/t9-,18?/m0/s1
InChIKeyCVEUQYLLXOLCET-JUGYALQGSA-N
XLogP2.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512778
2-methyl-N-[(1R)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512780
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide
CID 102258355
(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide
CID 161379144
(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide
CID 156875474
2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide
CID 165146618
N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine
CID 131036778
N-[(S)-(4-fluoro-1-hydroxycyclohexyl)-pyridin-3-ylmethyl]-2-methylpropane-2-sulfinamide
CID 121281266
(R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 176945435
N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide
CID 121314661
tert-butyl 4-[(1R)-1-(tert-butylsulfinylamino)-2,2,2-trifluoroethyl]benzoate
CID 67395689

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide (CID 134988458) is 2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H](c1cccnc1)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide?
The InChIKey is CVEUQYLLXOLCET-JUGYALQGSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-10(2,3)18(17)16-9(11(12,13)14)8-5-4-6-15-7-8/h4-7,9,16H,1-3H3/t9-,18?/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide?
2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide has a molecular weight of 280.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide is sourced from PubChem (CID 134988458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).