6-(trifluoromethyl)thiomorpholin-3-one

C5H6F3NOS — CID 130836299

IUPAC6-(trifluoromethyl)thiomorpholin-3-one
SMILESO=C1CSC(C(F)(F)F)CN1
InChIInChI=1S/C5H6F3NOS/c6-5(7,8)3-1-9-4(10)2-11-3/h3H,1-2H2,(H,9,10)
InChIKeyPRPCGNIOSFRVPD-UHFFFAOYSA-N
MW185.17 g/mol
LogP0.78
Rot. Bonds

About 6-(trifluoromethyl)thiomorpholin-3-one

6-(trifluoromethyl)thiomorpholin-3-one (PubChem CID 130836299) has the molecular formula C5H6F3NOS and a molecular weight of 185.17 g/mol. Its IUPAC name is 6-(trifluoromethyl)thiomorpholin-3-one.

Molecular Properties

Compound Name6-(trifluoromethyl)thiomorpholin-3-one
PubChem CID130836299
Molecular FormulaC5H6F3NOS
Molecular Weight185.17 g/mol
Exact Mass185.01
IUPAC Name6-(trifluoromethyl)thiomorpholin-3-one
SMILESO=C1CSC(C(F)(F)F)CN1
InChIInChI=1S/C5H6F3NOS/c6-5(7,8)3-1-9-4(10)2-11-3/h3H,1-2H2,(H,9,10)
InChIKeyPRPCGNIOSFRVPD-UHFFFAOYSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Tetrahydrothiazine-3-one
CID 88402
3-Thiomorpholinone, 2-methyl-
CID 95528
2-Trifluoromethyl-tetrahydro-4h-1,3-thiazin-4-one
CID 129765293
N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide
CID 88871209
N-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide
CID 155154973
Dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium
CID 172843562
2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43249652
2,2,2-trifluoro-N-(3-methylsulfanylpropyl)acetamide
CID 64459162
2-(1-aminopropan-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66217627
2-(3-aminopropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66219532
2-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 86986067
3-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 87013247

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)thiomorpholin-3-one?
The IUPAC name of 6-(trifluoromethyl)thiomorpholin-3-one (CID 130836299) is 6-(trifluoromethyl)thiomorpholin-3-one.
What is the SMILES notation for 6-(trifluoromethyl)thiomorpholin-3-one?
The canonical SMILES for 6-(trifluoromethyl)thiomorpholin-3-one is O=C1CSC(C(F)(F)F)CN1.
What is the InChIKey of 6-(trifluoromethyl)thiomorpholin-3-one?
The InChIKey is PRPCGNIOSFRVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NOS/c6-5(7,8)3-1-9-4(10)2-11-3/h3H,1-2H2,(H,9,10).
What are the key properties of 6-(trifluoromethyl)thiomorpholin-3-one?
6-(trifluoromethyl)thiomorpholin-3-one has a molecular weight of 185.17 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)thiomorpholin-3-one is sourced from PubChem (CID 130836299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).