methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate

C10H14N2O2S — CID 66286478

IUPACmethyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCCSC)ccn1
InChIInChI=1S/C10H14N2O2S/c1-14-10(13)9-7-8(3-4-12-9)11-5-6-15-2/h3-4,7H,5-6H2,1-2H3,(H,11,12)
InChIKeyNQNMMESDYVFJSK-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.64
Rot. Bonds5

About methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate

methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate (PubChem CID 66286478) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
PubChem CID66286478
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namemethyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCCSC)ccn1
InChIInChI=1S/C10H14N2O2S/c1-14-10(13)9-7-8(3-4-12-9)11-5-6-15-2/h3-4,7H,5-6H2,1-2H3,(H,11,12)
InChIKeyNQNMMESDYVFJSK-UHFFFAOYSA-N
XLogP1.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 66286681
methyl 4-(2-phenylsulfanylethylamino)pyridine-2-carboxylate
CID 66286043
methyl 4-(4,4,4-trifluorobutylamino)pyridine-2-carboxylate
CID 79040373
methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
CID 66284614
methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate
CID 83029565
7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid
CID 66290880
methyl 4-(3-methylsulfinylpropylamino)pyridine-2-carboxylate
CID 115657520
4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63963789
methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate
CID 113243750
methyl 4-[2-(cycloheptylamino)ethylamino]pyridine-2-carboxylate
CID 115306769
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
methyl 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxylate
CID 114384333

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate (CID 66286478) is methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate is COC(=O)c1cc(NCCSC)ccn1.
What is the InChIKey of methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate?
The InChIKey is NQNMMESDYVFJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-14-10(13)9-7-8(3-4-12-9)11-5-6-15-2/h3-4,7H,5-6H2,1-2H3,(H,11,12).
What are the key properties of methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate?
methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate has a molecular weight of 226.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate is sourced from PubChem (CID 66286478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).