methyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate

C16H19N3O4S — CID 15988350

IUPACmethyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)c1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C16H19N3O4S/c1-23-14(20)11-24(21,22)16-15(19-9-5-2-6-10-19)17-12-7-3-4-8-13(12)18-16/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyVMNJWMKLVKJULM-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.57
Rot. Bonds4

About methyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate

methyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate (PubChem CID 15988350) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is methyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate
PubChem CID15988350
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Namemethyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)c1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C16H19N3O4S/c1-23-14(20)11-24(21,22)16-15(19-9-5-2-6-10-19)17-12-7-3-4-8-13(12)18-16/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyVMNJWMKLVKJULM-UHFFFAOYSA-N
XLogP1.57
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate?
The IUPAC name of methyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate (CID 15988350) is methyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate.
What is the SMILES notation for methyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate?
The canonical SMILES for methyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate is COC(=O)CS(=O)(=O)c1nc2ccccc2nc1N1CCCCC1.
What is the InChIKey of methyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate?
The InChIKey is VMNJWMKLVKJULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-23-14(20)11-24(21,22)16-15(19-9-5-2-6-10-19)17-12-7-3-4-8-13(12)18-16/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of methyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate?
methyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate has a molecular weight of 349.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-piperidin-1-ylquinoxalin-2-yl)sulfonylacetate is sourced from PubChem (CID 15988350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).