6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine

C11H21F3N2S — CID 116535129

IUPAC6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine
SMILESCC(CN)(CCCC(F)(F)F)N1CCSCC1
InChIInChI=1S/C11H21F3N2S/c1-10(9-15,3-2-4-11(12,13)14)16-5-7-17-8-6-16/h2-9,15H2,1H3
InChIKeyGABSGDIMOUUDSN-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.49
Rot. Bonds5

About 6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine

6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine (PubChem CID 116535129) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine
PubChem CID116535129
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC Name6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine
SMILESCC(CN)(CCCC(F)(F)F)N1CCSCC1
InChIInChI=1S/C11H21F3N2S/c1-10(9-15,3-2-4-11(12,13)14)16-5-7-17-8-6-16/h2-9,15H2,1H3
InChIKeyGABSGDIMOUUDSN-UHFFFAOYSA-N
XLogP2.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535294
2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535281
6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine
CID 116535108
1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine
CID 116535297
2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535365
6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine
CID 116535380
2,5-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
CID 43362669
2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine
CID 80557474
3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine
CID 54933322
3-(3-fluorophenyl)-2-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine
CID 114831170
2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
CID 80557657
2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
CID 103494824

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine (CID 116535129) is 6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine is CC(CN)(CCCC(F)(F)F)N1CCSCC1.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine?
The InChIKey is GABSGDIMOUUDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-10(9-15,3-2-4-11(12,13)14)16-5-7-17-8-6-16/h2-9,15H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine?
6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine has a molecular weight of 270.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine is sourced from PubChem (CID 116535129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).