4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one

C11H18N2O3S — CID 117005417

IUPAC4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one
SMILESO=C1CNC2CS(=O)(=O)CC2N1C1CCCC1
InChIInChI=1S/C11H18N2O3S/c14-11-5-12-9-6-17(15,16)7-10(9)13(11)8-3-1-2-4-8/h8-10,12H,1-7H2
InChIKeyKFSQESOFYCGWCR-UHFFFAOYSA-N
MW258.34 g/mol
LogP-0.47
Rot. Bonds1

About 4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one

4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one (PubChem CID 117005417) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one
PubChem CID117005417
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one
SMILESO=C1CNC2CS(=O)(=O)CC2N1C1CCCC1
InChIInChI=1S/C11H18N2O3S/c14-11-5-12-9-6-17(15,16)7-10(9)13(11)8-3-1-2-4-8/h8-10,12H,1-7H2
InChIKeyKFSQESOFYCGWCR-UHFFFAOYSA-N
XLogP-0.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one with MolForge

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Related Compounds

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CID 7952563
(3aR,6aS)-1-cyclohexyl-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CID 6553677
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3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione
CID 103936410
(4aR,7aS)-4-(4-methoxyphenyl)-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one
CID 22690171
1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione
CID 82936467
3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one?
The IUPAC name of 4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one (CID 117005417) is 4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one?
The canonical SMILES for 4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one is O=C1CNC2CS(=O)(=O)CC2N1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one?
The InChIKey is KFSQESOFYCGWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c14-11-5-12-9-6-17(15,16)7-10(9)13(11)8-3-1-2-4-8/h8-10,12H,1-7H2.
What are the key properties of 4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one?
4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one has a molecular weight of 258.34 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one is sourced from PubChem (CID 117005417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).