N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine

C11H21F3N2S — CID 66422767

IUPACN-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CCC1CSCCN1)CC(F)(F)F
InChIInChI=1S/C11H21F3N2S/c1-9(2)16(8-11(12,13)14)5-3-10-7-17-6-4-15-10/h9-10,15H,3-8H2,1-2H3
InChIKeyUHEYDJDGMUDENE-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.35
Rot. Bonds5

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

N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 66422767) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID66422767
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC NameN-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CCC1CSCCN1)CC(F)(F)F
InChIInChI=1S/C11H21F3N2S/c1-9(2)16(8-11(12,13)14)5-3-10-7-17-6-4-15-10/h9-10,15H,3-8H2,1-2H3
InChIKeyUHEYDJDGMUDENE-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 66422767) is N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(CCC1CSCCN1)CC(F)(F)F.
What is the InChIKey of N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is UHEYDJDGMUDENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-9(2)16(8-11(12,13)14)5-3-10-7-17-6-4-15-10/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 270.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 66422767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).