2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine

C13H25F3N2S — CID 116535320

IUPAC2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
SMILESCC1CN(C(C)(CN)CCCC(F)(F)F)CC(C)S1
InChIInChI=1S/C13H25F3N2S/c1-10-7-18(8-11(2)19-10)12(3,9-17)5-4-6-13(14,15)16/h10-11H,4-9,17H2,1-3H3
InChIKeyWSYPOCRSYGQQCO-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.26
Rot. Bonds5

About 2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine

2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine (PubChem CID 116535320) has the molecular formula C13H25F3N2S and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine.

Molecular Properties

Compound Name2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
PubChem CID116535320
Molecular FormulaC13H25F3N2S
Molecular Weight298.42 g/mol
Exact Mass298.17
IUPAC Name2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
SMILESCC1CN(C(C)(CN)CCCC(F)(F)F)CC(C)S1
InChIInChI=1S/C13H25F3N2S/c1-10-7-18(8-11(2)19-10)12(3,9-17)5-4-6-13(14,15)16/h10-11H,4-9,17H2,1-3H3
InChIKeyWSYPOCRSYGQQCO-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine with MolForge

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Related Compounds

N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 134514969
[3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 43173289
[4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thian-4-yl]methanamine
CID 54981886
[3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thian-3-yl]methanamine
CID 62870955
[1-Thiomorpholin-4-yl-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64753677
[1-(3-Methylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755507
[1-(2,6-Dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755693
[1-(2,6-Dimethylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757811
3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-3-amine
CID 65376561
[5-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 79949744
3-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)thian-3-amine
CID 79951032
[4,4-Dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thian-3-yl]methanamine
CID 79952648

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The IUPAC name of 2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine (CID 116535320) is 2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine.
What is the SMILES notation for 2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The canonical SMILES for 2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine is CC1CN(C(C)(CN)CCCC(F)(F)F)CC(C)S1.
What is the InChIKey of 2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The InChIKey is WSYPOCRSYGQQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2S/c1-10-7-18(8-11(2)19-10)12(3,9-17)5-4-6-13(14,15)16/h10-11H,4-9,17H2,1-3H3.
What are the key properties of 2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine has a molecular weight of 298.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine is sourced from PubChem (CID 116535320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).