2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine

C9H17F3N2S — CID 62558863

IUPAC2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCSCC1
InChIInChI=1S/C9H17F3N2S/c1-8(6-13-7-9(10,11)12)14-2-4-15-5-3-14/h8,13H,2-7H2,1H3
InChIKeyDVOQJLAVOCJSJF-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.58
Rot. Bonds4

About 2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62558863) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62558863
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC Name2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCSCC1
InChIInChI=1S/C9H17F3N2S/c1-8(6-13-7-9(10,11)12)14-2-4-15-5-3-14/h8,13H,2-7H2,1H3
InChIKeyDVOQJLAVOCJSJF-UHFFFAOYSA-N
XLogP1.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(Trifluoromethyl)piperazin-1-yl]ethanethiol
CID 155022215
1-[Propyl-[2-(1,1,1-trifluoropropan-2-ylamino)ethyl]amino]ethanethiol
CID 170259011
3,3,3-Trifluoro-2-thiomorpholin-4-ylpropan-1-amine
CID 43752683
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
1,1,1-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)butane-2,3-diamine
CID 61647856
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-2-amine
CID 61647909
1,1,1-Trifluoro-2-thiomorpholin-4-ylpentan-3-amine
CID 61647963
4,4,4-Trifluoro-3-(1-oxo-1,4-thiazinan-4-yl)butan-2-amine
CID 61648090
1,1,1-Trifluoro-2-(1-oxo-1,4-thiazinan-4-yl)pentan-3-amine
CID 61648091
N'-methyl-N'-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559627
2-(1,4-thiazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62568030

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62558863) is 2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)N1CCSCC1.
What is the InChIKey of 2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is DVOQJLAVOCJSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c1-8(6-13-7-9(10,11)12)14-2-4-15-5-3-14/h8,13H,2-7H2,1H3.
What are the key properties of 2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 242.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62558863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).