N,N-dimethyl-2-quinoxalin-2-ylsulfanylacetamide

C12H13N3OS — CID 3749686

IUPACN,N-dimethyl-2-quinoxalin-2-ylsulfanylacetamide
SMILESCN(C)C(=O)CSc1cnc2ccccc2n1
InChIInChI=1S/C12H13N3OS/c1-15(2)12(16)8-17-11-7-13-9-5-3-4-6-10(9)14-11/h3-7H,8H2,1-2H3
InChIKeySTHUTAMHFYPDNA-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.81
Rot. Bonds3

About N,N-dimethyl-2-quinoxalin-2-ylsulfanylacetamide

N,N-dimethyl-2-quinoxalin-2-ylsulfanylacetamide (PubChem CID 3749686) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N,N-dimethyl-2-quinoxalin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-quinoxalin-2-ylsulfanylacetamide
PubChem CID3749686
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN,N-dimethyl-2-quinoxalin-2-ylsulfanylacetamide
SMILESCN(C)C(=O)CSc1cnc2ccccc2n1
InChIInChI=1S/C12H13N3OS/c1-15(2)12(16)8-17-11-7-13-9-5-3-4-6-10(9)14-11/h3-7H,8H2,1-2H3
InChIKeySTHUTAMHFYPDNA-UHFFFAOYSA-N
XLogP1.81
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-quinoxalin-2-ylsulfanylacetamide?
The IUPAC name of N,N-dimethyl-2-quinoxalin-2-ylsulfanylacetamide (CID 3749686) is N,N-dimethyl-2-quinoxalin-2-ylsulfanylacetamide.
What is the SMILES notation for N,N-dimethyl-2-quinoxalin-2-ylsulfanylacetamide?
The canonical SMILES for N,N-dimethyl-2-quinoxalin-2-ylsulfanylacetamide is CN(C)C(=O)CSc1cnc2ccccc2n1.
What is the InChIKey of N,N-dimethyl-2-quinoxalin-2-ylsulfanylacetamide?
The InChIKey is STHUTAMHFYPDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-15(2)12(16)8-17-11-7-13-9-5-3-4-6-10(9)14-11/h3-7H,8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-quinoxalin-2-ylsulfanylacetamide?
N,N-dimethyl-2-quinoxalin-2-ylsulfanylacetamide has a molecular weight of 247.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-quinoxalin-2-ylsulfanylacetamide is sourced from PubChem (CID 3749686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).