5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine

C11H21F3N2S — CID 113327730

IUPAC5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine
SMILESFC(F)(F)CCCCNCCC1CSCCN1
InChIInChI=1S/C11H21F3N2S/c12-11(13,14)4-1-2-5-15-6-3-10-9-17-8-7-16-10/h10,15-16H,1-9H2
InChIKeySZAFAUZBRGZMHV-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.40
Rot. Bonds7

About 5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine

5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine (PubChem CID 113327730) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine
PubChem CID113327730
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC Name5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine
SMILESFC(F)(F)CCCCNCCC1CSCCN1
InChIInChI=1S/C11H21F3N2S/c12-11(13,14)4-1-2-5-15-6-3-10-9-17-8-7-16-10/h10,15-16H,1-9H2
InChIKeySZAFAUZBRGZMHV-UHFFFAOYSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(propylthio)ethyl]piperidin-4-amine
CID 56722598
4-[(Trifluoromethyl)sulfanyl]piperidine
CID 75530531
4-(2,2,2-Trifluoroethylsulfanyl)piperidine;hydrochloride
CID 118481424
5,5,5-Trifluoro-4-(piperidin-4-ylamino)pentane-2-thiol
CID 124033211
1-[4-(2,2,2-Trifluoroethylamino)piperidin-1-yl]ethanethiol
CID 138626116
2-[[1-(2,2-Difluoroethyl)piperidin-4-yl]amino]ethanethiol
CID 144503704
3-Ethylsulfanyl-4,4-difluoro-1-methanidylpiperidin-1-ium
CID 147896098
1-[(4S)-3,3-difluoro-4-(methylamino)piperidin-1-yl]ethanethiol
CID 156418561
(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 166682652
1-butylsulfanyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 170623102
Ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine
CID 176942308
4-Amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol
CID 176942628

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine (CID 113327730) is 5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine is FC(F)(F)CCCCNCCC1CSCCN1.
What is the InChIKey of 5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine?
The InChIKey is SZAFAUZBRGZMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c12-11(13,14)4-1-2-5-15-6-3-10-9-17-8-7-16-10/h10,15-16H,1-9H2.
What are the key properties of 5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine?
5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine has a molecular weight of 270.36 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine is sourced from PubChem (CID 113327730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).