N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-sulfanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

C16H30N4O3S2 — CID 132608572

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-sulfanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-sulfanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide (PubChem CID 132608572) has the molecular formula C16H30N4O3S2 and a molecular weight of 390.58 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-sulfanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide.

Molecular Properties

• Compound Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-sulfanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
• PubChem CID: 132608572
• Molecular Formula: C16H30N4O3S2
• Molecular Weight: 390.58 g/mol
• Exact Mass: 390.18
• IUPAC Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-sulfanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
• SMILES: NCCOCCOCCNC(=O)CCCCC1SCC2NC(=S)NC21
• InChI: InChI=1S/C16H30N4O3S2/c17-5-7-22-9-10-23-8-6-18-14(21)4-2-1-3-13-15-12(11-25-13)19-16(24)20-15/h12-13,15H,1-11,17H2,(H,18,21)(H2,19,20,24)
• InChIKey: FIYGSQCJANFGAB-UHFFFAOYSA-N
• XLogP: -0.01
• TPSA: 97.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.58
LogP ≤ 5	-0.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-sulfanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide?

The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-sulfanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide (CID 132608572) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-sulfanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide.

What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-sulfanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide?

The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-sulfanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide is NCCOCCOCCNC(=O)CCCCC1SCC2NC(=S)NC21.

What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-sulfanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide?

The InChIKey is FIYGSQCJANFGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3S2/c17-5-7-22-9-10-23-8-6-18-14(21)4-2-1-3-13-15-12(11-25-13)19-16(24)20-15/h12-13,15H,1-11,17H2,(H,18,21)(H2,19,20,24).

What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-sulfanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide?

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-sulfanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide has a molecular weight of 390.58 g/mol, XLogP of -0.01, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-(2-sulfanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide is sourced from PubChem (CID 132608572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).