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

C9H17F3N2S — CID 66420357

IUPAC3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
SMILESFC(F)(F)CCNCCC1CSCCN1
InChIInChI=1S/C9H17F3N2S/c10-9(11,12)2-4-13-3-1-8-7-15-6-5-14-8/h8,13-14H,1-7H2
InChIKeyDNLCMWUCVCOURW-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.62
Rot. Bonds5

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

3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine (PubChem CID 66420357) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
PubChem CID66420357
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC Name3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
SMILESFC(F)(F)CCNCCC1CSCCN1
InChIInChI=1S/C9H17F3N2S/c10-9(11,12)2-4-13-3-1-8-7-15-6-5-14-8/h8,13-14H,1-7H2
InChIKeyDNLCMWUCVCOURW-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.62
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
3-(Trifluoromethyl)thiomorpholine
CID 60751553
(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 166682652
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-1-amine
CID 43753140
4-Methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 60810555
2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62558863
N-(2,2,2-trifluoroethyl)thian-3-amine
CID 62872682
N-(3,3,3-trifluoropropyl)thian-4-amine
CID 63225937
N-(3,3,3-trifluoropropyl)thian-3-amine
CID 63226422
N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63980758
N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63981310
N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63983391

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine (CID 66420357) is 3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine is FC(F)(F)CCNCCC1CSCCN1.
What is the InChIKey of 3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine?
The InChIKey is DNLCMWUCVCOURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c10-9(11,12)2-4-13-3-1-8-7-15-6-5-14-8/h8,13-14H,1-7H2.
What are the key properties of 3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine?
3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine has a molecular weight of 242.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine is sourced from PubChem (CID 66420357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).