6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid

C12H16N2O3S — CID 61305130

IUPAC6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(SCCN2CCOCC2)nc1
InChIInChI=1S/C12H16N2O3S/c15-12(16)10-1-2-11(13-9-10)18-8-5-14-3-6-17-7-4-14/h1-2,9H,3-8H2,(H,15,16)
InChIKeyGBOIPZRMECQFBK-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.20
Rot. Bonds5

About 6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid

6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid (PubChem CID 61305130) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid
PubChem CID61305130
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(SCCN2CCOCC2)nc1
InChIInChI=1S/C12H16N2O3S/c15-12(16)10-1-2-11(13-9-10)18-8-5-14-3-6-17-7-4-14/h1-2,9H,3-8H2,(H,15,16)
InChIKeyGBOIPZRMECQFBK-UHFFFAOYSA-N
XLogP1.20
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-morpholin-4-ylethylsulfanyl)pyridine-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

Related Compounds

N-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide
CID 46377991
6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid
CID 61299148
ethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate
CID 46377990
6-(2-pyrazol-1-ylethylsulfanyl)pyridine-3-carboxylic acid
CID 54961724
N-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
CID 50820358
6-but-3-ynylsulfanylpyridine-3-carboxylic acid
CID 61305128
(4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone
CID 46377940
6-(3-methoxy-3-oxopropyl)sulfanylpyridine-3-carboxylic acid
CID 43617633
cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone
CID 82165144
N-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
CID 50820392
4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine
CID 75392958
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283

Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid (CID 61305130) is 6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(SCCN2CCOCC2)nc1.
What is the InChIKey of 6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid?
The InChIKey is GBOIPZRMECQFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-12(16)10-1-2-11(13-9-10)18-8-5-14-3-6-17-7-4-14/h1-2,9H,3-8H2,(H,15,16).
What are the key properties of 6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid?
6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 61305130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).