1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine

C10H17N3O4S — CID 105030844

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine
SMILESCNC(CS(C)(=O)=O)c1ncc(OC)nc1OC
InChIInChI=1S/C10H17N3O4S/c1-11-7(6-18(4,14)15)9-10(17-3)13-8(16-2)5-12-9/h5,7,11H,6H2,1-4H3
InChIKeySQWOWUSBJWVWHG-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.20
Rot. Bonds6

About 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine

1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine (PubChem CID 105030844) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine
PubChem CID105030844
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine
SMILESCNC(CS(C)(=O)=O)c1ncc(OC)nc1OC
InChIInChI=1S/C10H17N3O4S/c1-11-7(6-18(4,14)15)9-10(17-3)13-8(16-2)5-12-9/h5,7,11H,6H2,1-4H3
InChIKeySQWOWUSBJWVWHG-UHFFFAOYSA-N
XLogP-0.20
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-N-methylethanamine
CID 105178224
1-(3,5-dimethoxypyrazin-2-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 105031280
2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine
CID 105031131
3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 103216140
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103216137
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 105031020
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 105030945
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178278
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103029167
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine
CID 107946650
[1-(3,5-dimethoxypyrazin-2-yl)-3-propoxypropyl]hydrazine
CID 105332275
1-(3,5-dimethoxypyrazin-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105031186

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine (CID 105030844) is 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine is CNC(CS(C)(=O)=O)c1ncc(OC)nc1OC.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine?
The InChIKey is SQWOWUSBJWVWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-11-7(6-18(4,14)15)9-10(17-3)13-8(16-2)5-12-9/h5,7,11H,6H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine?
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine has a molecular weight of 275.33 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 105030844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).