3-methylsulfanyl-N-propylquinoxalin-2-amine

C12H15N3S — CID 119095091

IUPAC3-methylsulfanyl-N-propylquinoxalin-2-amine
SMILESCCCNc1nc2ccccc2nc1SC
InChIInChI=1S/C12H15N3S/c1-3-8-13-11-12(16-2)15-10-7-5-4-6-9(10)14-11/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyDQQCULAPZRJWPG-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.17
Rot. Bonds4

About 3-methylsulfanyl-N-propylquinoxalin-2-amine

3-methylsulfanyl-N-propylquinoxalin-2-amine (PubChem CID 119095091) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-methylsulfanyl-N-propylquinoxalin-2-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-propylquinoxalin-2-amine
PubChem CID119095091
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name3-methylsulfanyl-N-propylquinoxalin-2-amine
SMILESCCCNc1nc2ccccc2nc1SC
InChIInChI=1S/C12H15N3S/c1-3-8-13-11-12(16-2)15-10-7-5-4-6-9(10)14-11/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyDQQCULAPZRJWPG-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-propylquinoxalin-2-amine?
The IUPAC name of 3-methylsulfanyl-N-propylquinoxalin-2-amine (CID 119095091) is 3-methylsulfanyl-N-propylquinoxalin-2-amine.
What is the SMILES notation for 3-methylsulfanyl-N-propylquinoxalin-2-amine?
The canonical SMILES for 3-methylsulfanyl-N-propylquinoxalin-2-amine is CCCNc1nc2ccccc2nc1SC.
What is the InChIKey of 3-methylsulfanyl-N-propylquinoxalin-2-amine?
The InChIKey is DQQCULAPZRJWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-3-8-13-11-12(16-2)15-10-7-5-4-6-9(10)14-11/h4-7H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 3-methylsulfanyl-N-propylquinoxalin-2-amine?
3-methylsulfanyl-N-propylquinoxalin-2-amine has a molecular weight of 233.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-propylquinoxalin-2-amine is sourced from PubChem (CID 119095091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).