1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone

C15H22N2O2S — CID 118743062

IUPAC1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone
SMILESCOCCN1CCC12CCN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C15H22N2O2S/c1-19-9-8-17-7-5-15(17)4-6-16(12-15)14(18)11-13-3-2-10-20-13/h2-3,10H,4-9,11-12H2,1H3
InChIKeyYEKDKFVZQKGIAO-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.61
Rot. Bonds5

About 1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone

1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone (PubChem CID 118743062) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone
PubChem CID118743062
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone
SMILESCOCCN1CCC12CCN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C15H22N2O2S/c1-19-9-8-17-7-5-15(17)4-6-16(12-15)14(18)11-13-3-2-10-20-13/h2-3,10H,4-9,11-12H2,1H3
InChIKeyYEKDKFVZQKGIAO-UHFFFAOYSA-N
XLogP1.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone (CID 118743062) is 1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone is COCCN1CCC12CCN(C(=O)Cc1cccs1)C2.
What is the InChIKey of 1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone?
The InChIKey is YEKDKFVZQKGIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-19-9-8-17-7-5-15(17)4-6-16(12-15)14(18)11-13-3-2-10-20-13/h2-3,10H,4-9,11-12H2,1H3.
What are the key properties of 1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone?
1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone has a molecular weight of 294.42 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 118743062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).