[2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine

C12H15F3N2S — CID 43528577

IUPAC[2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(C(F)(F)F)ccc1N1CCSCC1
InChIInChI=1S/C12H15F3N2S/c13-12(14,15)10-1-2-11(9(7-10)8-16)17-3-5-18-6-4-17/h1-2,7H,3-6,8,16H2
InChIKeyAHPNMICIROJREE-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.72
Rot. Bonds2

About [2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine

[2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 43528577) has the molecular formula C12H15F3N2S and a molecular weight of 276.33 g/mol. Its IUPAC name is [2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine
PubChem CID43528577
Molecular FormulaC12H15F3N2S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name[2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(C(F)(F)F)ccc1N1CCSCC1
InChIInChI=1S/C12H15F3N2S/c13-12(14,15)10-1-2-11(9(7-10)8-16)17-3-5-18-6-4-17/h1-2,7H,3-6,8,16H2
InChIKeyAHPNMICIROJREE-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine (CID 43528577) is [2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine is NCc1cc(C(F)(F)F)ccc1N1CCSCC1.
What is the InChIKey of [2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is AHPNMICIROJREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2S/c13-12(14,15)10-1-2-11(9(7-10)8-16)17-3-5-18-6-4-17/h1-2,7H,3-6,8,16H2.
What are the key properties of [2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine?
[2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 276.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43528577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).