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

C11H21F3N2S — CID 66422571

IUPACN-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CCC1CSCCN1)CC(F)(F)F
InChIInChI=1S/C11H21F3N2S/c1-2-5-16(9-11(12,13)14)6-3-10-8-17-7-4-15-10/h10,15H,2-9H2,1H3
InChIKeyJYAMWMLEYLVLPA-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.36
Rot. Bonds6

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

N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 66422571) 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-1-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID66422571
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC NameN-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CCC1CSCCN1)CC(F)(F)F
InChIInChI=1S/C11H21F3N2S/c1-2-5-16(9-11(12,13)14)6-3-10-8-17-7-4-15-10/h10,15H,2-9H2,1H3
InChIKeyJYAMWMLEYLVLPA-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.36
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-1-amine?
The IUPAC name of N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 66422571) is N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(CCC1CSCCN1)CC(F)(F)F.
What is the InChIKey of N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is JYAMWMLEYLVLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-2-5-16(9-11(12,13)14)6-3-10-8-17-7-4-15-10/h10,15H,2-9H2,1H3.
What are the key properties of N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 270.36 g/mol, XLogP of 2.36, 6 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-1-amine is sourced from PubChem (CID 66422571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).