(S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen

C11H18F3N3OS — CID 157335070

IUPAC(S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen
SMILESC[C@@H](N[S@@](=O)C(C)(C)C)c1ccc(C(F)(F)F)nn1.[H][H]
InChIInChI=1S/C11H16F3N3OS.H2/c1-7(17-19(18)10(2,3)4)8-5-6-9(16-15-8)11(12,13)14;/h5-7,17H,1-4H3;1H/t7-,19+;/m1./s1
InChIKeyBFTAGTHHASFVDK-FEQBZBIJSA-N
MW297.35 g/mol
LogP2.85
Rot. Bonds3

About (S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen

(S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen (PubChem CID 157335070) has the molecular formula C11H18F3N3OS and a molecular weight of 297.35 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen
PubChem CID157335070
Molecular FormulaC11H18F3N3OS
Molecular Weight297.35 g/mol
Exact Mass297.11
IUPAC Name(S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen
SMILESC[C@@H](N[S@@](=O)C(C)(C)C)c1ccc(C(F)(F)F)nn1.[H][H]
InChIInChI=1S/C11H16F3N3OS.H2/c1-7(17-19(18)10(2,3)4)8-5-6-9(16-15-8)11(12,13)14;/h5-7,17H,1-4H3;1H/t7-,19+;/m1./s1
InChIKeyBFTAGTHHASFVDK-FEQBZBIJSA-N
XLogP2.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen?
The IUPAC name of (S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen (CID 157335070) is (S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen.
What is the SMILES notation for (S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen?
The canonical SMILES for (S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen is C[C@@H](N[S@@](=O)C(C)(C)C)c1ccc(C(F)(F)F)nn1.[H][H].
What is the InChIKey of (S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen?
The InChIKey is BFTAGTHHASFVDK-FEQBZBIJSA-N. The full InChI is InChI=1S/C11H16F3N3OS.H2/c1-7(17-19(18)10(2,3)4)8-5-6-9(16-15-8)11(12,13)14;/h5-7,17H,1-4H3;1H/t7-,19+;/m1./s1.
What are the key properties of (S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen?
(S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen has a molecular weight of 297.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]propane-2-sulfinamide;molecular hydrogen is sourced from PubChem (CID 157335070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).