4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine

C11H14F3N3S — CID 106747275

IUPAC4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCN(c1cc(C(F)(F)F)ncc1N)C1CCSC1
InChIInChI=1S/C11H14F3N3S/c1-17(7-2-3-18-6-7)9-4-10(11(12,13)14)16-5-8(9)15/h4-5,7H,2-3,6,15H2,1H3
InChIKeyBUAOFLHMDSFFGB-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.62
Rot. Bonds2

About 4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747275) has the molecular formula C11H14F3N3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747275
Molecular FormulaC11H14F3N3S
Molecular Weight277.31 g/mol
Exact Mass277.09
IUPAC Name4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCN(c1cc(C(F)(F)F)ncc1N)C1CCSC1
InChIInChI=1S/C11H14F3N3S/c1-17(7-2-3-18-6-7)9-4-10(11(12,13)14)16-5-8(9)15/h4-5,7H,2-3,6,15H2,1H3
InChIKeyBUAOFLHMDSFFGB-UHFFFAOYSA-N
XLogP2.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747912
4-bromo-2-N-methyl-2-N-(thiolan-3-yl)benzene-1,2-diamine
CID 65343311
4-N-methyl-4-N-(thiolan-3-yl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 43296414
4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747423
2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine
CID 61145624
4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine
CID 106747334
3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine
CID 104506386
4-amino-N-ethyl-3-[methyl(thiolan-3-yl)amino]benzenesulfonamide
CID 82898648
methyl 4-amino-3-[methyl(thiolan-3-yl)amino]benzoate
CID 82784822
4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747535
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747884
4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine
CID 93278897

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747275) is 4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine is CN(c1cc(C(F)(F)F)ncc1N)C1CCSC1.
What is the InChIKey of 4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is BUAOFLHMDSFFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3S/c1-17(7-2-3-18-6-7)9-4-10(11(12,13)14)16-5-8(9)15/h4-5,7H,2-3,6,15H2,1H3.
What are the key properties of 4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 277.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).