3-methyl-5-(trifluoromethyl)thiomorpholine

C6H10F3NS — CID 66220145

IUPAC3-methyl-5-(trifluoromethyl)thiomorpholine
SMILESCC1CSCC(C(F)(F)F)N1
InChIInChI=1S/C6H10F3NS/c1-4-2-11-3-5(10-4)6(7,8)9/h4-5,10H,2-3H2,1H3
InChIKeyBSDWMFWBPBYYDY-UHFFFAOYSA-N
MW185.21 g/mol
LogP1.64
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)thiomorpholine

3-methyl-5-(trifluoromethyl)thiomorpholine (PubChem CID 66220145) has the molecular formula C6H10F3NS and a molecular weight of 185.21 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)thiomorpholine.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)thiomorpholine
PubChem CID66220145
Molecular FormulaC6H10F3NS
Molecular Weight185.21 g/mol
Exact Mass185.05
IUPAC Name3-methyl-5-(trifluoromethyl)thiomorpholine
SMILESCC1CSCC(C(F)(F)F)N1
InChIInChI=1S/C6H10F3NS/c1-4-2-11-3-5(10-4)6(7,8)9/h4-5,10H,2-3H2,1H3
InChIKeyBSDWMFWBPBYYDY-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)thiomorpholine?
The IUPAC name of 3-methyl-5-(trifluoromethyl)thiomorpholine (CID 66220145) is 3-methyl-5-(trifluoromethyl)thiomorpholine.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)thiomorpholine?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)thiomorpholine is CC1CSCC(C(F)(F)F)N1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)thiomorpholine?
The InChIKey is BSDWMFWBPBYYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NS/c1-4-2-11-3-5(10-4)6(7,8)9/h4-5,10H,2-3H2,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)thiomorpholine?
3-methyl-5-(trifluoromethyl)thiomorpholine has a molecular weight of 185.21 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)thiomorpholine is sourced from PubChem (CID 66220145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).