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

C13H19F3N2OS — CID 114370116

IUPAC3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol
SMILESCC(C)CC(N)C(CO)Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H19F3N2OS/c1-8(2)5-10(17)11(7-19)20-12-4-3-9(6-18-12)13(14,15)16/h3-4,6,8,10-11,19H,5,7,17H2,1-2H3
InChIKeyYKOBIPCOTOHODW-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.93
Rot. Bonds6

About 3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol

3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol (PubChem CID 114370116) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol.

Molecular Properties

Compound Name3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol
PubChem CID114370116
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol
SMILESCC(C)CC(N)C(CO)Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H19F3N2OS/c1-8(2)5-10(17)11(7-19)20-12-4-3-9(6-18-12)13(14,15)16/h3-4,6,8,10-11,19H,5,7,17H2,1-2H3
InChIKeyYKOBIPCOTOHODW-UHFFFAOYSA-N
XLogP2.93
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol with MolForge

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Related Compounds

trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane
CID 640487
3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentanoic acid
CID 55180135
2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 64806386
N-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine
CID 64621878
1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one
CID 43426391
N-prop-2-ynyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 47145329
2-methyl-2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentanoic acid
CID 64711456
(2R)-N-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 95900158
2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]propan-1-amine
CID 55092132
N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 51184992
N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-amine
CID 55091984
N-methyl-N-(2-methylpropyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 134005894

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol?
The IUPAC name of 3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol (CID 114370116) is 3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol.
What is the SMILES notation for 3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol?
The canonical SMILES for 3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol is CC(C)CC(N)C(CO)Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol?
The InChIKey is YKOBIPCOTOHODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-8(2)5-10(17)11(7-19)20-12-4-3-9(6-18-12)13(14,15)16/h3-4,6,8,10-11,19H,5,7,17H2,1-2H3.
What are the key properties of 3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol?
3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol has a molecular weight of 308.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol is sourced from PubChem (CID 114370116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).