2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide

C12H20N4OS — CID 63381623

IUPAC2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide
SMILESCNC(C)(CCCCSc1cnccn1)C(N)=O
InChIInChI=1S/C12H20N4OS/c1-12(14-2,11(13)17)5-3-4-8-18-10-9-15-6-7-16-10/h6-7,9,14H,3-5,8H2,1-2H3,(H2,13,17)
InChIKeyJACHGXYWAXMJPK-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.20
Rot. Bonds8

About 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide

2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide (PubChem CID 63381623) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide
PubChem CID63381623
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide
SMILESCNC(C)(CCCCSc1cnccn1)C(N)=O
InChIInChI=1S/C12H20N4OS/c1-12(14-2,11(13)17)5-3-4-8-18-10-9-15-6-7-16-10/h6-7,9,14H,3-5,8H2,1-2H3,(H2,13,17)
InChIKeyJACHGXYWAXMJPK-UHFFFAOYSA-N
XLogP1.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide?
The IUPAC name of 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide (CID 63381623) is 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide is CNC(C)(CCCCSc1cnccn1)C(N)=O.
What is the InChIKey of 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide?
The InChIKey is JACHGXYWAXMJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-12(14-2,11(13)17)5-3-4-8-18-10-9-15-6-7-16-10/h6-7,9,14H,3-5,8H2,1-2H3,(H2,13,17).
What are the key properties of 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide?
2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide has a molecular weight of 268.39 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide is sourced from PubChem (CID 63381623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).