5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone

C18H25NO3S — CID 97216073

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc3c(s1)CCC3)CC2
InChIInChI=1S/C18H25NO3S/c1-2-22-16-11-15(20)18(16)6-8-19(9-7-18)17(21)14-10-12-4-3-5-13(12)23-14/h10,15-16,20H,2-9,11H2,1H3/t15-,16+/m1/s1
InChIKeyUTRKFHFOLCKKHI-CVEARBPZSA-N
MW335.47 g/mol
LogP2.63
Rot. Bonds3

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone (PubChem CID 97216073) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
PubChem CID97216073
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc3c(s1)CCC3)CC2
InChIInChI=1S/C18H25NO3S/c1-2-22-16-11-15(20)18(16)6-8-19(9-7-18)17(21)14-10-12-4-3-5-13(12)23-14/h10,15-16,20H,2-9,11H2,1H3/t15-,16+/m1/s1
InChIKeyUTRKFHFOLCKKHI-CVEARBPZSA-N
XLogP2.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone (CID 97216073) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone is CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc3c(s1)CCC3)CC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?
The InChIKey is UTRKFHFOLCKKHI-CVEARBPZSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-2-22-16-11-15(20)18(16)6-8-19(9-7-18)17(21)14-10-12-4-3-5-13(12)23-14/h10,15-16,20H,2-9,11H2,1H3/t15-,16+/m1/s1.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 335.47 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 97216073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).