(2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

C27H28N2OS — CID 26325970

About (2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

(2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 26325970) has the molecular formula C27H28N2OS and a molecular weight of 428.60 g/mol. Its IUPAC name is (2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 26325970
• Molecular Formula: C27H28N2OS
• Molecular Weight: 428.60 g/mol
• Exact Mass: 428.19
• IUPAC Name: (2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: O=C(NCc1cccs1)[C@@H]1CC12CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2
• InChI: InChI=1S/C27H28N2OS/c30-26(28-17-22-5-3-13-31-22)25-16-27(25)9-11-29(12-10-27)18-19-7-8-24-21(14-19)15-20-4-1-2-6-23(20)24/h1-8,13-14,25H,9-12,15-18H2,(H,28,30)/t25-/m0/s1
• InChIKey: TUIRLYNSVDOOTI-VWLOTQADSA-N
• XLogP: 5.24
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.60
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of (2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 26325970) is (2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for (2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for (2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCc1cccs1)[C@@H]1CC12CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2.

What is the InChIKey of (2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is TUIRLYNSVDOOTI-VWLOTQADSA-N. The full InChI is InChI=1S/C27H28N2OS/c30-26(28-17-22-5-3-13-31-22)25-16-27(25)9-11-29(12-10-27)18-19-7-8-24-21(14-19)15-20-4-1-2-6-23(20)24/h1-8,13-14,25H,9-12,15-18H2,(H,28,30)/t25-/m0/s1.

What are the key properties of (2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?

(2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 26325970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).