2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol

C13H19F3N2OS — CID 106810911

IUPAC2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol
SMILESCCC(N)(CO)CCCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H19F3N2OS/c1-2-12(17,9-19)6-3-7-20-11-5-4-10(8-18-11)13(14,15)16/h4-5,8,19H,2-3,6-7,9,17H2,1H3
InChIKeyWSTKUMFUADQIDT-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.07
Rot. Bonds7

About 2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol

2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol (PubChem CID 106810911) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol
PubChem CID106810911
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol
SMILESCCC(N)(CO)CCCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H19F3N2OS/c1-2-12(17,9-19)6-3-7-20-11-5-4-10(8-18-11)13(14,15)16/h4-5,8,19H,2-3,6-7,9,17H2,1H3
InChIKeyWSTKUMFUADQIDT-UHFFFAOYSA-N
XLogP3.07
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol?
The IUPAC name of 2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol (CID 106810911) is 2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol.
What is the SMILES notation for 2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol?
The canonical SMILES for 2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol is CCC(N)(CO)CCCSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol?
The InChIKey is WSTKUMFUADQIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-2-12(17,9-19)6-3-7-20-11-5-4-10(8-18-11)13(14,15)16/h4-5,8,19H,2-3,6-7,9,17H2,1H3.
What are the key properties of 2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol?
2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol has a molecular weight of 308.37 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol is sourced from PubChem (CID 106810911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).