6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione

C12H14N2O2S — CID 23186995

IUPAC6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESCc1c(C2CCCC2)sc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C12H14N2O2S/c1-6-8-12(14-11(16)10(15)13-8)17-9(6)7-4-2-3-5-7/h7H,2-5H2,1H3,(H,13,15)(H,14,16)
InChIKeySKEHSFWYTJMVJO-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.24
Rot. Bonds1

About 6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione

6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (PubChem CID 23186995) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
PubChem CID23186995
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESCc1c(C2CCCC2)sc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C12H14N2O2S/c1-6-8-12(14-11(16)10(15)13-8)17-9(6)7-4-2-3-5-7/h7H,2-5H2,1H3,(H,13,15)(H,14,16)
InChIKeySKEHSFWYTJMVJO-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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 6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (CID 23186995) is 6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is Cc1c(C2CCCC2)sc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of 6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The InChIKey is SKEHSFWYTJMVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-6-8-12(14-11(16)10(15)13-8)17-9(6)7-4-2-3-5-7/h7H,2-5H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione has a molecular weight of 250.32 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 23186995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).