N-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine

C14H19N3S — CID 113499154

IUPACN-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine
SMILESCCSCC(C)Nc1nc2ccccc2nc1C
InChIInChI=1S/C14H19N3S/c1-4-18-9-10(2)15-14-11(3)16-12-7-5-6-8-13(12)17-14/h5-8,10H,4,9H2,1-3H3,(H,15,17)
InChIKeySQJIGVQMQLQNPF-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.49
Rot. Bonds5

About N-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine

N-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine (PubChem CID 113499154) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine
PubChem CID113499154
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine
SMILESCCSCC(C)Nc1nc2ccccc2nc1C
InChIInChI=1S/C14H19N3S/c1-4-18-9-10(2)15-14-11(3)16-12-7-5-6-8-13(12)17-14/h5-8,10H,4,9H2,1-3H3,(H,15,17)
InChIKeySQJIGVQMQLQNPF-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine (CID 113499154) is N-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine is CCSCC(C)Nc1nc2ccccc2nc1C.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine?
The InChIKey is SQJIGVQMQLQNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-18-9-10(2)15-14-11(3)16-12-7-5-6-8-13(12)17-14/h5-8,10H,4,9H2,1-3H3,(H,15,17).
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine?
N-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine is sourced from PubChem (CID 113499154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).