2-amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol

C11H15F3N2OS — CID 64808261

IUPAC2-amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol
SMILESCC(N)(CO)CCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H15F3N2OS/c1-10(15,7-17)4-5-18-9-3-2-8(6-16-9)11(12,13)14/h2-3,6,17H,4-5,7,15H2,1H3
InChIKeyOTOHCJGKMRWSJG-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.29
Rot. Bonds5

About 2-amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol

2-amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol (PubChem CID 64808261) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol
PubChem CID64808261
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name2-amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol
SMILESCC(N)(CO)CCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H15F3N2OS/c1-10(15,7-17)4-5-18-9-3-2-8(6-16-9)11(12,13)14/h2-3,6,17H,4-5,7,15H2,1H3
InChIKeyOTOHCJGKMRWSJG-UHFFFAOYSA-N
XLogP2.29
TPSA59.14 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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[5-(Trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
CID 706722
2-(2-Pyridylthio)ethan-1-ol
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CID 2727805
N1-phenyl-2-{[5-(trifluoromethyl)-2-pyridyl]thio}acetamide
CID 2744376
N'-hydroxy-2-{[3-(trifluoromethyl)pyridin-2-yl]thio}ethanimidamide
CID 9580946
2-[5-(Trifluoromethyl)pyridin-2-yl]sulfonylethanamine
CID 2800648
2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile
CID 2744981
2-[[2-[[5-(Trifluoromethyl)-2-pyridinyl]sulfanyl]ethylamino]methylidene]propanedinitrile
CID 2800621
2-(2,3-Dihydroxypropylsulfanyl)pyridine-4-carbothioamide
CID 3002235
N-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 47155320
N,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 51072973
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]acetamide
CID 172433719

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol (CID 64808261) is 2-amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol is CC(N)(CO)CCSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol?
The InChIKey is OTOHCJGKMRWSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-10(15,7-17)4-5-18-9-3-2-8(6-16-9)11(12,13)14/h2-3,6,17H,4-5,7,15H2,1H3.
What are the key properties of 2-amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol?
2-amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol has a molecular weight of 280.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol is sourced from PubChem (CID 64808261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).