4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid

C12H16N2O3S — CID 79554802

IUPAC4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid
SMILESCN1CCOC(CSc2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C12H16N2O3S/c1-14-4-5-17-9(7-14)8-18-10-2-3-13-11(6-10)12(15)16/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyMAMAZFALRZSLFQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.20
Rot. Bonds4

About 4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid

4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid (PubChem CID 79554802) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid
PubChem CID79554802
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid
SMILESCN1CCOC(CSc2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C12H16N2O3S/c1-14-4-5-17-9(7-14)8-18-10-2-3-13-11(6-10)12(15)16/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyMAMAZFALRZSLFQ-UHFFFAOYSA-N
XLogP1.20
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

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Related Compounds

3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol
CID 104590668
4-[2-(oxolan-2-yl)ethylsulfanyl]pyridine-2-carboxylic acid
CID 79554128
2-[(4-methylmorpholin-2-yl)methylsulfanyl]benzoic acid
CID 79165122
2-fluoro-4-[(4-methylmorpholin-2-yl)methylsulfanyl]aniline
CID 79171948
5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490999
[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine
CID 113384740
1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine
CID 79183022
5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 79070897
4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid
CID 79554540
3-fluoro-5-[(4-methylmorpholin-2-yl)methylsulfanyl]aniline
CID 79171556
4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79554554
4-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridine-2-carboxylic acid
CID 79554136

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid (CID 79554802) is 4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid is CN1CCOC(CSc2ccnc(C(=O)O)c2)C1.
What is the InChIKey of 4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid?
The InChIKey is MAMAZFALRZSLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-14-4-5-17-9(7-14)8-18-10-2-3-13-11(6-10)12(15)16/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of 4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid?
4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 79554802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).