N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine

C11H19F3N2S — CID 66422570

IUPACN-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(CCC1CSCCN1)C1CC1
InChIInChI=1S/C11H19F3N2S/c12-11(13,14)8-16(10-1-2-10)5-3-9-7-17-6-4-15-9/h9-10,15H,1-8H2
InChIKeyOYCQBSNZNZVXLA-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.11
Rot. Bonds5

About N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 66422570) has the molecular formula C11H19F3N2S and a molecular weight of 268.35 g/mol. Its IUPAC name is N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID66422570
Molecular FormulaC11H19F3N2S
Molecular Weight268.35 g/mol
Exact Mass268.12
IUPAC NameN-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(CCC1CSCCN1)C1CC1
InChIInChI=1S/C11H19F3N2S/c12-11(13,14)8-16(10-1-2-10)5-3-9-7-17-6-4-15-9/h9-10,15H,1-8H2
InChIKeyOYCQBSNZNZVXLA-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.11
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)cyclopropanamine?
The IUPAC name of N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 66422570) is N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine is FC(F)(F)CN(CCC1CSCCN1)C1CC1.
What is the InChIKey of N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is OYCQBSNZNZVXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2S/c12-11(13,14)8-16(10-1-2-10)5-3-9-7-17-6-4-15-9/h9-10,15H,1-8H2.
What are the key properties of N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 268.35 g/mol, XLogP of 2.11, 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)cyclopropanamine is sourced from PubChem (CID 66422570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).