6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine

C16H17N3OS2 — CID 176898306

IUPAC6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine
SMILESCCCCS(=O)c1sc2ncc(-c3ccccc3)nc2c1N
InChIInChI=1S/C16H17N3OS2/c1-2-3-9-22(20)16-13(17)14-15(21-16)18-10-12(19-14)11-7-5-4-6-8-11/h4-8,10H,2-3,9,17H2,1H3
InChIKeyKYXLTDHDHJYQJF-UHFFFAOYSA-N
MW331.47 g/mol
LogP3.85
Rot. Bonds5

About 6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine

6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine (PubChem CID 176898306) has the molecular formula C16H17N3OS2 and a molecular weight of 331.47 g/mol. Its IUPAC name is 6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine.

Molecular Properties

Compound Name6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine
PubChem CID176898306
Molecular FormulaC16H17N3OS2
Molecular Weight331.47 g/mol
Exact Mass331.08
IUPAC Name6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine
SMILESCCCCS(=O)c1sc2ncc(-c3ccccc3)nc2c1N
InChIInChI=1S/C16H17N3OS2/c1-2-3-9-22(20)16-13(17)14-15(21-16)18-10-12(19-14)11-7-5-4-6-8-11/h4-8,10H,2-3,9,17H2,1H3
InChIKeyKYXLTDHDHJYQJF-UHFFFAOYSA-N
XLogP3.85
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine?
The IUPAC name of 6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine (CID 176898306) is 6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine.
What is the SMILES notation for 6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine?
The canonical SMILES for 6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine is CCCCS(=O)c1sc2ncc(-c3ccccc3)nc2c1N.
What is the InChIKey of 6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine?
The InChIKey is KYXLTDHDHJYQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS2/c1-2-3-9-22(20)16-13(17)14-15(21-16)18-10-12(19-14)11-7-5-4-6-8-11/h4-8,10H,2-3,9,17H2,1H3.
What are the key properties of 6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine?
6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine has a molecular weight of 331.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine is sourced from PubChem (CID 176898306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).