7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione

C12H14N2O2S — CID 19100721

IUPAC7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2scc(C3CCCCC3)c2[nH]c1=O
InChIInChI=1S/C12H14N2O2S/c15-10-11(16)14-12-9(13-10)8(6-17-12)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,15)(H,14,16)
InChIKeyCMJQTESMKOUKPD-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.33
Rot. Bonds1

About 7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione

7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (PubChem CID 19100721) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
PubChem CID19100721
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2scc(C3CCCCC3)c2[nH]c1=O
InChIInChI=1S/C12H14N2O2S/c15-10-11(16)14-12-9(13-10)8(6-17-12)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,15)(H,14,16)
InChIKeyCMJQTESMKOUKPD-UHFFFAOYSA-N
XLogP2.33
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (CID 19100721) is 7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2scc(C3CCCCC3)c2[nH]c1=O.
What is the InChIKey of 7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The InChIKey is CMJQTESMKOUKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-10-11(16)14-12-9(13-10)8(6-17-12)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,15)(H,14,16).
What are the key properties of 7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione has a molecular weight of 250.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 19100721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).