2-methyl-3-pentylsulfanylquinoxaline

C14H18N2S — CID 3079965

IUPAC2-methyl-3-pentylsulfanylquinoxaline
SMILESCCCCCSc1nc2ccccc2nc1C
InChIInChI=1S/C14H18N2S/c1-3-4-7-10-17-14-11(2)15-12-8-5-6-9-13(12)16-14/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyNPPMRPFZGZORJR-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.22
Rot. Bonds5

About 2-methyl-3-pentylsulfanylquinoxaline

2-methyl-3-pentylsulfanylquinoxaline (PubChem CID 3079965) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-methyl-3-pentylsulfanylquinoxaline.

Molecular Properties

Compound Name2-methyl-3-pentylsulfanylquinoxaline
PubChem CID3079965
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-methyl-3-pentylsulfanylquinoxaline
SMILESCCCCCSc1nc2ccccc2nc1C
InChIInChI=1S/C14H18N2S/c1-3-4-7-10-17-14-11(2)15-12-8-5-6-9-13(12)16-14/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyNPPMRPFZGZORJR-UHFFFAOYSA-N
XLogP4.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pentylsulfanylquinoxaline?
The IUPAC name of 2-methyl-3-pentylsulfanylquinoxaline (CID 3079965) is 2-methyl-3-pentylsulfanylquinoxaline.
What is the SMILES notation for 2-methyl-3-pentylsulfanylquinoxaline?
The canonical SMILES for 2-methyl-3-pentylsulfanylquinoxaline is CCCCCSc1nc2ccccc2nc1C.
What is the InChIKey of 2-methyl-3-pentylsulfanylquinoxaline?
The InChIKey is NPPMRPFZGZORJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-4-7-10-17-14-11(2)15-12-8-5-6-9-13(12)16-14/h5-6,8-9H,3-4,7,10H2,1-2H3.
What are the key properties of 2-methyl-3-pentylsulfanylquinoxaline?
2-methyl-3-pentylsulfanylquinoxaline has a molecular weight of 246.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pentylsulfanylquinoxaline is sourced from PubChem (CID 3079965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).