methyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate

C13H18N2O2S — CID 107296781

IUPACmethyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2CCSC2)nc1C
InChIInChI=1S/C13H18N2O2S/c1-9-11(13(16)17-2)3-4-12(15-9)14-7-10-5-6-18-8-10/h3-4,10H,5-8H2,1-2H3,(H,14,15)
InChIKeyVUXHYBPWIHHRMI-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.34
Rot. Bonds4

About methyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate

methyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate (PubChem CID 107296781) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is methyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate
PubChem CID107296781
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Namemethyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2CCSC2)nc1C
InChIInChI=1S/C13H18N2O2S/c1-9-11(13(16)17-2)3-4-12(15-9)14-7-10-5-6-18-8-10/h3-4,10H,5-8H2,1-2H3,(H,14,15)
InChIKeyVUXHYBPWIHHRMI-UHFFFAOYSA-N
XLogP2.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate (CID 107296781) is methyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate is COC(=O)c1ccc(NCC2CCSC2)nc1C.
What is the InChIKey of methyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate?
The InChIKey is VUXHYBPWIHHRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9-11(13(16)17-2)3-4-12(15-9)14-7-10-5-6-18-8-10/h3-4,10H,5-8H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate?
methyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate has a molecular weight of 266.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 107296781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).