(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone

C14H15N3O3S — CID 171945544

IUPAC(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone
SMILESO=C(c1cnc2cnccn12)C1CC2CCC(C1)S2(=O)=O
InChIInChI=1S/C14H15N3O3S/c18-14(12-7-16-13-8-15-3-4-17(12)13)9-5-10-1-2-11(6-9)21(10,19)20/h3-4,7-11H,1-2,5-6H2
InChIKeyVCLJLFLOUCNLGS-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.27
Rot. Bonds2

About (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone

(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone (PubChem CID 171945544) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone.

Molecular Properties

Compound Name(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone
PubChem CID171945544
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone
SMILESO=C(c1cnc2cnccn12)C1CC2CCC(C1)S2(=O)=O
InChIInChI=1S/C14H15N3O3S/c18-14(12-7-16-13-8-15-3-4-17(12)13)9-5-10-1-2-11(6-9)21(10,19)20/h3-4,7-11H,1-2,5-6H2
InChIKeyVCLJLFLOUCNLGS-UHFFFAOYSA-N
XLogP1.27
TPSA81.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone?
The IUPAC name of (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone (CID 171945544) is (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone.
What is the SMILES notation for (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone?
The canonical SMILES for (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone is O=C(c1cnc2cnccn12)C1CC2CCC(C1)S2(=O)=O.
What is the InChIKey of (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone?
The InChIKey is VCLJLFLOUCNLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-14(12-7-16-13-8-15-3-4-17(12)13)9-5-10-1-2-11(6-9)21(10,19)20/h3-4,7-11H,1-2,5-6H2.
What are the key properties of (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone?
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone has a molecular weight of 305.36 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone is sourced from PubChem (CID 171945544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).