5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine

C11H21F3N2S — CID 112737928

IUPAC5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine
SMILESCC1CSCCN1CCC(CCN)C(F)(F)F
InChIInChI=1S/C11H21F3N2S/c1-9-8-17-7-6-16(9)5-3-10(2-4-15)11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyLKGKPOAXPNJHOY-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.34
Rot. Bonds5

About 5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine

5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine (PubChem CID 112737928) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine.

Molecular Properties

Compound Name5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine
PubChem CID112737928
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC Name5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine
SMILESCC1CSCCN1CCC(CCN)C(F)(F)F
InChIInChI=1S/C11H21F3N2S/c1-9-8-17-7-6-16(9)5-3-10(2-4-15)11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyLKGKPOAXPNJHOY-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine?
The IUPAC name of 5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine (CID 112737928) is 5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine.
What is the SMILES notation for 5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine?
The canonical SMILES for 5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine is CC1CSCCN1CCC(CCN)C(F)(F)F.
What is the InChIKey of 5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine?
The InChIKey is LKGKPOAXPNJHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-9-8-17-7-6-16(9)5-3-10(2-4-15)11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of 5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine?
5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine has a molecular weight of 270.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine is sourced from PubChem (CID 112737928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).