2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid

C13H18N2O3S — CID 67287463

IUPAC2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
SMILESCCSc1nc(N2CCOCC2)cc(C)c1C(=O)O
InChIInChI=1S/C13H18N2O3S/c1-3-19-12-11(13(16)17)9(2)8-10(14-12)15-4-6-18-7-5-15/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyKMJLXXCGHFVYRP-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.04
Rot. Bonds4

About 2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid

2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid (PubChem CID 67287463) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
PubChem CID67287463
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
SMILESCCSc1nc(N2CCOCC2)cc(C)c1C(=O)O
InChIInChI=1S/C13H18N2O3S/c1-3-19-12-11(13(16)17)9(2)8-10(14-12)15-4-6-18-7-5-15/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyKMJLXXCGHFVYRP-UHFFFAOYSA-N
XLogP2.04
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid (CID 67287463) is 2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid is CCSc1nc(N2CCOCC2)cc(C)c1C(=O)O.
What is the InChIKey of 2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid?
The InChIKey is KMJLXXCGHFVYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-19-12-11(13(16)17)9(2)8-10(14-12)15-4-6-18-7-5-15/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid?
2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid has a molecular weight of 282.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 67287463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).