N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide

C15H17N3O3S — CID 3745374

About N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide

N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide (PubChem CID 3745374) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide
• PubChem CID: 3745374
• Molecular Formula: C15H17N3O3S
• Molecular Weight: 319.39 g/mol
• Exact Mass: 319.10
• IUPAC Name: N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide
• SMILES: O=C(NC1CCN2C(=O)C3CCCN3C(=O)C12)c1cccs1
• InChI: InChI=1S/C15H17N3O3S/c19-13(11-4-2-8-22-11)16-9-5-7-18-12(9)15(21)17-6-1-3-10(17)14(18)20/h2,4,8-10,12H,1,3,5-7H2,(H,16,19)
• InChIKey: MWRRQYZTXOOKNT-UHFFFAOYSA-N
• XLogP: 0.45
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.39
LogP ≤ 5	0.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide?

The IUPAC name of N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide (CID 3745374) is N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide.

What is the SMILES notation for N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide?

The canonical SMILES for N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide is O=C(NC1CCN2C(=O)C3CCCN3C(=O)C12)c1cccs1.

What is the InChIKey of N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide?

The InChIKey is MWRRQYZTXOOKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-13(11-4-2-8-22-11)16-9-5-7-18-12(9)15(21)17-6-1-3-10(17)14(18)20/h2,4,8-10,12H,1,3,5-7H2,(H,16,19).

What are the key properties of N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide?

N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 3745374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).