6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

C11H14F3N3O2S2 — CID 102718841

IUPAC6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)C1CSCCN1c1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C11H14F3N3O2S2/c1-21(18,19)10-6-20-3-2-17(10)9-5-7(11(12,13)14)4-8(15)16-9/h4-5,10H,2-3,6H2,1H3,(H2,15,16)
InChIKeyZQFGTMSNXXTOQE-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.61
Rot. Bonds2

About 6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102718841) has the molecular formula C11H14F3N3O2S2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102718841
Molecular FormulaC11H14F3N3O2S2
Molecular Weight341.38 g/mol
Exact Mass341.05
IUPAC Name6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)C1CSCCN1c1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C11H14F3N3O2S2/c1-21(18,19)10-6-20-3-2-17(10)9-5-7(11(12,13)14)4-8(15)16-9/h4-5,10H,2-3,6H2,1H3,(H2,15,16)
InChIKeyZQFGTMSNXXTOQE-UHFFFAOYSA-N
XLogP1.61
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine
CID 80648375
4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine
CID 66383089
2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
CID 66382975
6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102719451
5-methylsulfonyl-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
CID 66383352
2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-benzothiazol-6-amine
CID 66382584
6-(3-methylsulfonylthiomorpholin-4-yl)pyridine-2-carbothioamide
CID 66382679
4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
CID 113315817
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718121
4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine
CID 79915838
4-amino-2-(3-methylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66382315
[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102719469

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 102718841) is 6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)C1CSCCN1c1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZQFGTMSNXXTOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S2/c1-21(18,19)10-6-20-3-2-17(10)9-5-7(11(12,13)14)4-8(15)16-9/h4-5,10H,2-3,6H2,1H3,(H2,15,16).
What are the key properties of 6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 341.38 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102718841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).