1-(2-azaspiro[5.5]undecan-2-yl)-2-thiophen-2-ylethanone

C16H23NOS — CID 54585849

IUPAC1-(2-azaspiro[5.5]undecan-2-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C16H23NOS/c18-15(12-14-6-4-11-19-14)17-10-5-9-16(13-17)7-2-1-3-8-16/h4,6,11H,1-3,5,7-10,12-13H2
InChIKeySKFQPYCEHCUNAV-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.86
Rot. Bonds2

About 1-(2-azaspiro[5.5]undecan-2-yl)-2-thiophen-2-ylethanone

1-(2-azaspiro[5.5]undecan-2-yl)-2-thiophen-2-ylethanone (PubChem CID 54585849) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(2-azaspiro[5.5]undecan-2-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2-azaspiro[5.5]undecan-2-yl)-2-thiophen-2-ylethanone
PubChem CID54585849
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name1-(2-azaspiro[5.5]undecan-2-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C16H23NOS/c18-15(12-14-6-4-11-19-14)17-10-5-9-16(13-17)7-2-1-3-8-16/h4,6,11H,1-3,5,7-10,12-13H2
InChIKeySKFQPYCEHCUNAV-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 5296322
N-(3-phenylpropyl)-2-thiophen-2-ylacetamide
CID 2299844
N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
CID 51186945
2-Adamantan-1-yl-N-methyl-N-thiophen-2-ylmethyl-acetamide
CID 57576905
N-methyl-N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 57576970
N-methyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 57577004
N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 71449606
(4-Benzylpiperidin-1-yl)(thiophen-2-yl)methanone
CID 779610
1-Methyl-cyclohexanecarboxylic acid methyl-thiophen-2-ylmethyl-amide
CID 57576921
3-Phenyl-1-(2-thienylcarbonyl)piperidine
CID 2893479
1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 44448393
2-Azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone
CID 54580944

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[5.5]undecan-2-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2-azaspiro[5.5]undecan-2-yl)-2-thiophen-2-ylethanone (CID 54585849) is 1-(2-azaspiro[5.5]undecan-2-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2-azaspiro[5.5]undecan-2-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2-azaspiro[5.5]undecan-2-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCCC2(CCCCC2)C1.
What is the InChIKey of 1-(2-azaspiro[5.5]undecan-2-yl)-2-thiophen-2-ylethanone?
The InChIKey is SKFQPYCEHCUNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c18-15(12-14-6-4-11-19-14)17-10-5-9-16(13-17)7-2-1-3-8-16/h4,6,11H,1-3,5,7-10,12-13H2.
What are the key properties of 1-(2-azaspiro[5.5]undecan-2-yl)-2-thiophen-2-ylethanone?
1-(2-azaspiro[5.5]undecan-2-yl)-2-thiophen-2-ylethanone has a molecular weight of 277.43 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[5.5]undecan-2-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 54585849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).