2-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol

C11H15F3N2OS — CID 103819988

IUPAC2-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
SMILESCSC(CO)C(C)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N2OS/c1-7(8(6-17)18-2)15-10-5-3-4-9(16-10)11(12,13)14/h3-5,7-8,17H,6H2,1-2H3,(H,15,16)
InChIKeyMUZJRGAGZODEJY-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.62
Rot. Bonds5

About 2-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol

2-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol (PubChem CID 103819988) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
PubChem CID103819988
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name2-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
SMILESCSC(CO)C(C)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N2OS/c1-7(8(6-17)18-2)15-10-5-3-4-9(16-10)11(12,13)14/h3-5,7-8,17H,6H2,1-2H3,(H,15,16)
InChIKeyMUZJRGAGZODEJY-UHFFFAOYSA-N
XLogP2.62
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol?
The IUPAC name of 2-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol (CID 103819988) is 2-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for 2-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol?
The canonical SMILES for 2-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol is CSC(CO)C(C)Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol?
The InChIKey is MUZJRGAGZODEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-7(8(6-17)18-2)15-10-5-3-4-9(16-10)11(12,13)14/h3-5,7-8,17H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol?
2-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol has a molecular weight of 280.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 103819988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).