(2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione

C6H8F3NOS — CID 95970437

IUPAC(2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione
SMILESC[C@@H]1O[C@H](C(F)(F)F)CNC1=S
InChIInChI=1S/C6H8F3NOS/c1-3-5(12)10-2-4(11-3)6(7,8)9/h3-4H,2H2,1H3,(H,10,12)/t3-,4-/m0/s1
InChIKeyYKOABZUMHXVXMH-IMJSIDKUSA-N
MW199.20 g/mol
LogP1.25
Rot. Bonds

About (2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione

(2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione (PubChem CID 95970437) has the molecular formula C6H8F3NOS and a molecular weight of 199.20 g/mol. Its IUPAC name is (2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione.

Molecular Properties

Compound Name(2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione
PubChem CID95970437
Molecular FormulaC6H8F3NOS
Molecular Weight199.20 g/mol
Exact Mass199.03
IUPAC Name(2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione
SMILESC[C@@H]1O[C@H](C(F)(F)F)CNC1=S
InChIInChI=1S/C6H8F3NOS/c1-3-5(12)10-2-4(11-3)6(7,8)9/h3-4H,2H2,1H3,(H,10,12)/t3-,4-/m0/s1
InChIKeyYKOABZUMHXVXMH-IMJSIDKUSA-N
XLogP1.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2R,6S)-2-propan-2-yl-6-(trifluoromethyl)morpholine-3-thione
CID 95970456
(2S,6S)-2-propan-2-yl-6-(trifluoromethyl)morpholine-3-thione
CID 95970457
3-ethyl-2-methyl-6-(trifluoromethyl)morpholine
CID 131021253
2-methyl-4-(trifluoromethyl)oxetane
CID 162568381
2-(2,2-dimethylpropyl)-6-(trifluoromethyl)morpholine
CID 107155091
(2S,5R)-5-methyl-2-(trifluoromethyl)morpholine
CID 124508872
[(6R)-6-(trifluoromethyl)morpholin-2-yl]methanol
CID 139358124
5-methyl-2-sulfanylidenepiperidine-3-carbonitrile
CID 130136264
(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione
CID 91886205
8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
CID 169122155
(3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one
CID 7159230
(3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one
CID 131863830

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione?
The IUPAC name of (2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione (CID 95970437) is (2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione.
What is the SMILES notation for (2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione?
The canonical SMILES for (2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione is C[C@@H]1O[C@H](C(F)(F)F)CNC1=S.
What is the InChIKey of (2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione?
The InChIKey is YKOABZUMHXVXMH-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H8F3NOS/c1-3-5(12)10-2-4(11-3)6(7,8)9/h3-4H,2H2,1H3,(H,10,12)/t3-,4-/m0/s1.
What are the key properties of (2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione?
(2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione has a molecular weight of 199.20 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione is sourced from PubChem (CID 95970437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).