4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile;morpholine

C11H15N3O2S — CID 11847247

IUPAC4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile;morpholine
SMILESC1COCCN1.Cc1cc(=O)[nH]c(S)c1C#N
InChIInChI=1S/C7H6N2OS.C4H9NO/c1-4-2-6(10)9-7(11)5(4)3-8;1-3-6-4-2-5-1/h2H,1H3,(H2,9,10,11);5H,1-4H2
InChIKeyRVLHUDBMQIRYHB-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.45
Rot. Bonds

About 4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile;morpholine

4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile;morpholine (PubChem CID 11847247) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile;morpholine.

Molecular Properties

Compound Name4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile;morpholine
PubChem CID11847247
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile;morpholine
SMILESC1COCCN1.Cc1cc(=O)[nH]c(S)c1C#N
InChIInChI=1S/C7H6N2OS.C4H9NO/c1-4-2-6(10)9-7(11)5(4)3-8;1-3-6-4-2-5-1/h2H,1H3,(H2,9,10,11);5H,1-4H2
InChIKeyRVLHUDBMQIRYHB-UHFFFAOYSA-N
XLogP0.45
TPSA77.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile;morpholine?
The IUPAC name of 4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile;morpholine (CID 11847247) is 4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile;morpholine.
What is the SMILES notation for 4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile;morpholine?
The canonical SMILES for 4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile;morpholine is C1COCCN1.Cc1cc(=O)[nH]c(S)c1C#N.
What is the InChIKey of 4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile;morpholine?
The InChIKey is RVLHUDBMQIRYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS.C4H9NO/c1-4-2-6(10)9-7(11)5(4)3-8;1-3-6-4-2-5-1/h2H,1H3,(H2,9,10,11);5H,1-4H2.
What are the key properties of 4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile;morpholine?
4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile;morpholine has a molecular weight of 253.33 g/mol, XLogP of 0.45, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carbonitrile;morpholine is sourced from PubChem (CID 11847247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).