8-(2-methylsulfonylethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine

C9H12N4O2S2 — CID 80882411

IUPAC8-(2-methylsulfonylethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
SMILESCS(=O)(=O)CCSc1nc(N)cn2ccnc12
InChIInChI=1S/C9H12N4O2S2/c1-17(14,15)5-4-16-9-8-11-2-3-13(8)6-7(10)12-9/h2-3,6H,4-5,10H2,1H3
InChIKeyPKRZDSGRMCZTNE-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.45
Rot. Bonds4

About 8-(2-methylsulfonylethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine

8-(2-methylsulfonylethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine (PubChem CID 80882411) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 8-(2-methylsulfonylethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound Name8-(2-methylsulfonylethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
PubChem CID80882411
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC Name8-(2-methylsulfonylethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
SMILESCS(=O)(=O)CCSc1nc(N)cn2ccnc12
InChIInChI=1S/C9H12N4O2S2/c1-17(14,15)5-4-16-9-8-11-2-3-13(8)6-7(10)12-9/h2-3,6H,4-5,10H2,1H3
InChIKeyPKRZDSGRMCZTNE-UHFFFAOYSA-N
XLogP0.45
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylsulfonylethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of 8-(2-methylsulfonylethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine (CID 80882411) is 8-(2-methylsulfonylethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for 8-(2-methylsulfonylethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for 8-(2-methylsulfonylethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine is CS(=O)(=O)CCSc1nc(N)cn2ccnc12.
What is the InChIKey of 8-(2-methylsulfonylethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine?
The InChIKey is PKRZDSGRMCZTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-17(14,15)5-4-16-9-8-11-2-3-13(8)6-7(10)12-9/h2-3,6H,4-5,10H2,1H3.
What are the key properties of 8-(2-methylsulfonylethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine?
8-(2-methylsulfonylethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine has a molecular weight of 272.35 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylsulfonylethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 80882411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).