3,3,3-trifluoro-2-thiomorpholin-4-ylpropan-1-amine

C7H13F3N2S — CID 43752683

IUPAC3,3,3-trifluoro-2-thiomorpholin-4-ylpropan-1-amine
SMILESNCC(N1CCSCC1)C(F)(F)F
InChIInChI=1S/C7H13F3N2S/c8-7(9,10)6(5-11)12-1-3-13-4-2-12/h6H,1-5,11H2
InChIKeyWQNSGEXEZZDZPO-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.92
Rot. Bonds2

About 3,3,3-trifluoro-2-thiomorpholin-4-ylpropan-1-amine

3,3,3-trifluoro-2-thiomorpholin-4-ylpropan-1-amine (PubChem CID 43752683) has the molecular formula C7H13F3N2S and a molecular weight of 214.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-thiomorpholin-4-ylpropan-1-amine
PubChem CID43752683
Molecular FormulaC7H13F3N2S
Molecular Weight214.26 g/mol
Exact Mass214.08
IUPAC Name3,3,3-trifluoro-2-thiomorpholin-4-ylpropan-1-amine
SMILESNCC(N1CCSCC1)C(F)(F)F
InChIInChI=1S/C7H13F3N2S/c8-7(9,10)6(5-11)12-1-3-13-4-2-12/h6H,1-5,11H2
InChIKeyWQNSGEXEZZDZPO-UHFFFAOYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-thiomorpholin-4-ylpropan-1-amine (CID 43752683) is 3,3,3-trifluoro-2-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-thiomorpholin-4-ylpropan-1-amine is NCC(N1CCSCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is WQNSGEXEZZDZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2S/c8-7(9,10)6(5-11)12-1-3-13-4-2-12/h6H,1-5,11H2.
What are the key properties of 3,3,3-trifluoro-2-thiomorpholin-4-ylpropan-1-amine?
3,3,3-trifluoro-2-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 214.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 43752683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).