1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide

C17H27N5O4S — CID 156605046

IUPAC1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
SMILESCN(C)C(=O)N1CCN(Cc2noc(C3CCCC3)n2)C2CS(=O)(=O)CC21
InChIInChI=1S/C17H27N5O4S/c1-20(2)17(23)22-8-7-21(13-10-27(24,25)11-14(13)22)9-15-18-16(26-19-15)12-5-3-4-6-12/h12-14H,3-11H2,1-2H3
InChIKeyQJCNZXXATZNXCL-UHFFFAOYSA-N
MW397.50 g/mol
LogP0.69
Rot. Bonds3

About 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide

1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide (PubChem CID 156605046) has the molecular formula C17H27N5O4S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
PubChem CID156605046
Molecular FormulaC17H27N5O4S
Molecular Weight397.50 g/mol
Exact Mass397.18
IUPAC Name1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
SMILESCN(C)C(=O)N1CCN(Cc2noc(C3CCCC3)n2)C2CS(=O)(=O)CC21
InChIInChI=1S/C17H27N5O4S/c1-20(2)17(23)22-8-7-21(13-10-27(24,25)11-14(13)22)9-15-18-16(26-19-15)12-5-3-4-6-12/h12-14H,3-11H2,1-2H3
InChIKeyQJCNZXXATZNXCL-UHFFFAOYSA-N
XLogP0.69
TPSA99.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
The IUPAC name of 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide (CID 156605046) is 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide.
What is the SMILES notation for 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
The canonical SMILES for 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide is CN(C)C(=O)N1CCN(Cc2noc(C3CCCC3)n2)C2CS(=O)(=O)CC21.
What is the InChIKey of 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
The InChIKey is QJCNZXXATZNXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O4S/c1-20(2)17(23)22-8-7-21(13-10-27(24,25)11-14(13)22)9-15-18-16(26-19-15)12-5-3-4-6-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide is sourced from PubChem (CID 156605046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).