4-methyl-3-(trifluoromethyl)thiomorpholine

C6H10F3NS — CID 145167718

IUPAC4-methyl-3-(trifluoromethyl)thiomorpholine
SMILESCN1CCSCC1C(F)(F)F
InChIInChI=1S/C6H10F3NS/c1-10-2-3-11-4-5(10)6(7,8)9/h5H,2-4H2,1H3
InChIKeyXERAMPVKERYKRU-UHFFFAOYSA-N
MW185.21 g/mol
LogP1.60
Rot. Bonds

About 4-methyl-3-(trifluoromethyl)thiomorpholine

4-methyl-3-(trifluoromethyl)thiomorpholine (PubChem CID 145167718) has the molecular formula C6H10F3NS and a molecular weight of 185.21 g/mol. Its IUPAC name is 4-methyl-3-(trifluoromethyl)thiomorpholine.

Molecular Properties

Compound Name4-methyl-3-(trifluoromethyl)thiomorpholine
PubChem CID145167718
Molecular FormulaC6H10F3NS
Molecular Weight185.21 g/mol
Exact Mass185.05
IUPAC Name4-methyl-3-(trifluoromethyl)thiomorpholine
SMILESCN1CCSCC1C(F)(F)F
InChIInChI=1S/C6H10F3NS/c1-10-2-3-11-4-5(10)6(7,8)9/h5H,2-4H2,1H3
InChIKeyXERAMPVKERYKRU-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(trifluoromethyl)thiomorpholine?
The IUPAC name of 4-methyl-3-(trifluoromethyl)thiomorpholine (CID 145167718) is 4-methyl-3-(trifluoromethyl)thiomorpholine.
What is the SMILES notation for 4-methyl-3-(trifluoromethyl)thiomorpholine?
The canonical SMILES for 4-methyl-3-(trifluoromethyl)thiomorpholine is CN1CCSCC1C(F)(F)F.
What is the InChIKey of 4-methyl-3-(trifluoromethyl)thiomorpholine?
The InChIKey is XERAMPVKERYKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NS/c1-10-2-3-11-4-5(10)6(7,8)9/h5H,2-4H2,1H3.
What are the key properties of 4-methyl-3-(trifluoromethyl)thiomorpholine?
4-methyl-3-(trifluoromethyl)thiomorpholine has a molecular weight of 185.21 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(trifluoromethyl)thiomorpholine is sourced from PubChem (CID 145167718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).