(3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C12H15F3N2S2 — CID 102708450

IUPAC(3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC1SCCSC1C(N)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2S2/c1-7-11(19-5-4-18-7)10(16)8-6-17-3-2-9(8)12(13,14)15/h2-3,6-7,10-11H,4-5,16H2,1H3
InChIKeyOLSQCJBUQDPEIT-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.34
Rot. Bonds2

About (3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

(3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102708450) has the molecular formula C12H15F3N2S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is (3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102708450
Molecular FormulaC12H15F3N2S2
Molecular Weight308.39 g/mol
Exact Mass308.06
IUPAC Name(3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC1SCCSC1C(N)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2S2/c1-7-11(19-5-4-18-7)10(16)8-6-17-3-2-9(8)12(13,14)15/h2-3,6-7,10-11H,4-5,16H2,1H3
InChIKeyOLSQCJBUQDPEIT-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710009
[(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105259619
[thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710391
(3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708268
(4-methylmorpholin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708320
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
3-cyclopentyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709687
(3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 115386698
[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710499
(4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709870
[(2,2-dimethylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 107005897

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of (3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102708450) is (3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for (3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for (3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is CC1SCCSC1C(N)c1cnccc1C(F)(F)F.
What is the InChIKey of (3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is OLSQCJBUQDPEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2S2/c1-7-11(19-5-4-18-7)10(16)8-6-17-3-2-9(8)12(13,14)15/h2-3,6-7,10-11H,4-5,16H2,1H3.
What are the key properties of (3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
(3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 308.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102708450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).