4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine

C12H14F3NO2S2 — CID 52821226

IUPAC4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine
SMILESCc1ccc(S(=O)(=O)N2CCSCC2)cc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2S2/c1-9-2-3-10(8-11(9)12(13,14)15)20(17,18)16-4-6-19-7-5-16/h2-3,8H,4-7H2,1H3
InChIKeyWOJKPOWVYQNBGI-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.75
Rot. Bonds2

About 4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine

4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine (PubChem CID 52821226) has the molecular formula C12H14F3NO2S2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine.

Molecular Properties

Compound Name4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine
PubChem CID52821226
Molecular FormulaC12H14F3NO2S2
Molecular Weight325.38 g/mol
Exact Mass325.04
IUPAC Name4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine
SMILESCc1ccc(S(=O)(=O)N2CCSCC2)cc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2S2/c1-9-2-3-10(8-11(9)12(13,14)15)20(17,18)16-4-6-19-7-5-16/h2-3,8H,4-7H2,1H3
InChIKeyWOJKPOWVYQNBGI-UHFFFAOYSA-N
XLogP2.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119959016
2-methyl-5-thiomorpholin-4-ylsulfonylbenzoic acid
CID 29266576
2-methyl-5-(1,4-thiazepan-4-ylsulfonyl)aniline
CID 61419001
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
4-(1,3-thiazolidin-3-ylsulfonyl)-2-(trifluoromethyl)benzonitrile
CID 71975014
1-(3,4-dimethylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 43008778
[3-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120778301
4-thiomorpholin-4-ylsulfonylpyridin-2-amine
CID 62145270
1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2452153
4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene
CID 71114454
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-ethylpiperazine;hydrochloride
CID 17390369
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 100665785

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine?
The IUPAC name of 4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine (CID 52821226) is 4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine.
What is the SMILES notation for 4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine?
The canonical SMILES for 4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine is Cc1ccc(S(=O)(=O)N2CCSCC2)cc1C(F)(F)F.
What is the InChIKey of 4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine?
The InChIKey is WOJKPOWVYQNBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S2/c1-9-2-3-10(8-11(9)12(13,14)15)20(17,18)16-4-6-19-7-5-16/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine?
4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine has a molecular weight of 325.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine is sourced from PubChem (CID 52821226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).