methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate

C12H16N2O2S — CID 114409662

IUPACmethyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(SC2CCCC2)n1
InChIInChI=1S/C12H16N2O2S/c1-16-12(15)10-7-6-9(13)11(14-10)17-8-4-2-3-5-8/h6-8H,2-5,13H2,1H3
InChIKeyOUWLVAKMKRDWAJ-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.49
Rot. Bonds3

About methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate

methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate (PubChem CID 114409662) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate
PubChem CID114409662
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Namemethyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(SC2CCCC2)n1
InChIInChI=1S/C12H16N2O2S/c1-16-12(15)10-7-6-9(13)11(14-10)17-8-4-2-3-5-8/h6-8H,2-5,13H2,1H3
InChIKeyOUWLVAKMKRDWAJ-UHFFFAOYSA-N
XLogP2.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate
CID 114409394
methyl 5-amino-6-(3-hydroxypropylsulfanyl)pyridine-2-carboxylate
CID 114409757
methyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate
CID 114409595
methyl 5-amino-6-iodopyridine-2-carboxylate
CID 53485922
methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate
CID 114409779
methyl 5-amino-6-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboxylate
CID 114409353
methyl 2-amino-3-cyclopentylsulfanylbenzoate
CID 115547626
methyl 4-cyclohexylsulfanyl-2-methylpyrimidine-5-carboxylate
CID 114214963
methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate
CID 114405484
methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate
CID 114409250
methyl 5-amino-6-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylate
CID 114409654
methyl 5-amino-6-(thian-4-ylamino)pyridine-2-carboxylate
CID 114408034

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate (CID 114409662) is methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate is COC(=O)c1ccc(N)c(SC2CCCC2)n1.
What is the InChIKey of methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate?
The InChIKey is OUWLVAKMKRDWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-16-12(15)10-7-6-9(13)11(14-10)17-8-4-2-3-5-8/h6-8H,2-5,13H2,1H3.
What are the key properties of methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate?
methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate has a molecular weight of 252.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate is sourced from PubChem (CID 114409662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).