4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine

C9H15N3O2S — CID 63192450

IUPAC4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
SMILESCS(=O)(=O)CCCC(N)c1cnccn1
InChIInChI=1S/C9H15N3O2S/c1-15(13,14)6-2-3-8(10)9-7-11-4-5-12-9/h4-5,7-8H,2-3,6,10H2,1H3
InChIKeyUJMOYFDKLOPOKT-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.30
Rot. Bonds5

About 4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine

4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine (PubChem CID 63192450) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
PubChem CID63192450
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
SMILESCS(=O)(=O)CCCC(N)c1cnccn1
InChIInChI=1S/C9H15N3O2S/c1-15(13,14)6-2-3-8(10)9-7-11-4-5-12-9/h4-5,7-8H,2-3,6,10H2,1H3
InChIKeyUJMOYFDKLOPOKT-UHFFFAOYSA-N
XLogP0.30
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine?
The IUPAC name of 4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine (CID 63192450) is 4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for 4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for 4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine is CS(=O)(=O)CCCC(N)c1cnccn1.
What is the InChIKey of 4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine?
The InChIKey is UJMOYFDKLOPOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-15(13,14)6-2-3-8(10)9-7-11-4-5-12-9/h4-5,7-8H,2-3,6,10H2,1H3.
What are the key properties of 4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine?
4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine has a molecular weight of 229.31 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 63192450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).