N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C₁₂H₁₈N₂OS — CID 120832251

About N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 120832251) has the molecular formula C₁₂H₁₈N₂OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
• PubChem CID: 120832251
• Molecular Formula: C₁₂H₁₈N₂OS
• Molecular Weight: 238.36 g/mol
• Exact Mass: 238.11
• IUPAC Name: N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
• SMILES: CNC(C)CNC(=O)c1cc2c(s1)CCC2
• InChI: InChI=1S/C12H18N2OS/c1-8(13-2)7-14-12(15)11-6-9-4-3-5-10(9)16-11/h6,8,13H,3-5,7H2,1-2H3,(H,14,15)
• InChIKey: XPNZPJJFSWKWJS-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 41.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.36
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?

The IUPAC name of N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 120832251) is N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

What is the SMILES notation for N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?

The canonical SMILES for N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is CNC(C)CNC(=O)c1cc2c(s1)CCC2.

What is the InChIKey of N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?

The InChIKey is XPNZPJJFSWKWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8(13-2)7-14-12(15)11-6-9-4-3-5-10(9)16-11/h6,8,13H,3-5,7H2,1-2H3,(H,14,15).

What are the key properties of N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?

N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 120832251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 120832251 — identifiers, structure, computed properties (public domain)

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