N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine

C12H21N3S — CID 102612776

IUPACN-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NC(C)c1nccnc1C
InChIInChI=1S/C12H21N3S/c1-9(5-8-16-4)15-11(3)12-10(2)13-6-7-14-12/h6-7,9,11,15H,5,8H2,1-4H3
InChIKeyARJNZLNDUADDSP-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.58
Rot. Bonds6

About N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine

N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine (PubChem CID 102612776) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
PubChem CID102612776
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NC(C)c1nccnc1C
InChIInChI=1S/C12H21N3S/c1-9(5-8-16-4)15-11(3)12-10(2)13-6-7-14-12/h6-7,9,11,15H,5,8H2,1-4H3
InChIKeyARJNZLNDUADDSP-UHFFFAOYSA-N
XLogP2.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine?
The IUPAC name of N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine (CID 102612776) is N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine is CSCCC(C)NC(C)c1nccnc1C.
What is the InChIKey of N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine?
The InChIKey is ARJNZLNDUADDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(5-8-16-4)15-11(3)12-10(2)13-6-7-14-12/h6-7,9,11,15H,5,8H2,1-4H3.
What are the key properties of N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine?
N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 102612776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).