(5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone

C15H20ClNO3S — CID 97216107

About (5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone

(5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone (PubChem CID 97216107) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

• Compound Name: (5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
• PubChem CID: 97216107
• Molecular Formula: C15H20ClNO3S
• Molecular Weight: 329.85 g/mol
• Exact Mass: 329.09
• IUPAC Name: (5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
• SMILES: CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1ccc(Cl)s1)CC2
• InChI: InChI=1S/C15H20ClNO3S/c1-2-20-12-9-11(18)15(12)5-7-17(8-6-15)14(19)10-3-4-13(16)21-10/h3-4,11-12,18H,2,5-9H2,1H3/t11-,12-/m0/s1
• InChIKey: RJSGBTLZXSOVFL-RYUDHWBXSA-N
• XLogP: 2.79
• TPSA: 49.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.85
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?

The IUPAC name of (5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone (CID 97216107) is (5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone.

What is the SMILES notation for (5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?

The canonical SMILES for (5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone is CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1ccc(Cl)s1)CC2.

What is the InChIKey of (5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?

The InChIKey is RJSGBTLZXSOVFL-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-2-20-12-9-11(18)15(12)5-7-17(8-6-15)14(19)10-3-4-13(16)21-10/h3-4,11-12,18H,2,5-9H2,1H3/t11-,12-/m0/s1.

What are the key properties of (5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?

(5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 329.85 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 97216107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).