4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide

Name: 4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₃N₃O₂S — CID 155961065

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide

SMILESO=S1(=O)CCC(=Cc2cnc3[nH]ccc3n2)CC1

InChIInChI=1S/C12H13N3O2S/c16-18(17)5-2-9(3-6-18)7-10-8-14-12-11(15-10)1-4-13-12/h1,4,7-8H,2-3,5-6H2,(H,13,14)

InChIKeyJJRHPQOYKZVRMZ-UHFFFAOYSA-N

MW263.32 g/mol

LogP1.55

Rot. Bonds1

About 4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide

4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide (PubChem CID 155961065) has the molecular formula C₁₂H₁₃N₃O₂S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide.

Molecular Properties

Compound Name	4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide
PubChem CID	155961065
Molecular Formula	C₁₂H₁₃N₃O₂S
Molecular Weight	263.32 g/mol
Exact Mass	263.07
IUPAC Name	4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide
SMILES	O=S1(=O)CCC(=Cc2cnc3[nH]ccc3n2)CC1
InChI	InChI=1S/C12H13N3O2S/c16-18(17)5-2-9(3-6-18)7-10-8-14-12-11(15-10)1-4-13-12/h1,4,7-8H,2-3,5-6H2,(H,13,14)
InChIKey	JJRHPQOYKZVRMZ-UHFFFAOYSA-N
XLogP	1.55
TPSA	75.71 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	1
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.32
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide?

The IUPAC name of 4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide (CID 155961065) is 4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide.

What is the SMILES notation for 4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide?

The canonical SMILES for 4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide is O=S1(=O)CCC(=Cc2cnc3[nH]ccc3n2)CC1.

What is the InChIKey of 4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide?

The InChIKey is JJRHPQOYKZVRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-18(17)5-2-9(3-6-18)7-10-8-14-12-11(15-10)1-4-13-12/h1,4,7-8H,2-3,5-6H2,(H,13,14).

What are the key properties of 4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide?

4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide has a molecular weight of 263.32 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethylidene)thiane 1,1-dioxide is sourced from PubChem (CID 155961065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155961065 — identifiers, structure, computed properties (public domain)

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