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

C12H17F3N2OS — CID 64805762

IUPAC2-amino-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol
SMILESCC(N)(CO)CCCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H17F3N2OS/c1-11(16,8-18)5-2-6-19-10-4-3-9(7-17-10)12(13,14)15/h3-4,7,18H,2,5-6,8,16H2,1H3
InChIKeyFCWQNWHPUFMFOM-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.68
Rot. Bonds6

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

2-amino-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol (PubChem CID 64805762) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-amino-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol
PubChem CID64805762
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name2-amino-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol
SMILESCC(N)(CO)CCCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H17F3N2OS/c1-11(16,8-18)5-2-6-19-10-4-3-9(7-17-10)12(13,14)15/h3-4,7,18H,2,5-6,8,16H2,1H3
InChIKeyFCWQNWHPUFMFOM-UHFFFAOYSA-N
XLogP2.68
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.68
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-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol (CID 64805762) is 2-amino-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol is CC(N)(CO)CCCSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-amino-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol?
The InChIKey is FCWQNWHPUFMFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-11(16,8-18)5-2-6-19-10-4-3-9(7-17-10)12(13,14)15/h3-4,7,18H,2,5-6,8,16H2,1H3.
What are the key properties of 2-amino-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol?
2-amino-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol has a molecular weight of 294.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol is sourced from PubChem (CID 64805762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).