2-azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone

C15H21NOS — CID 54580944

IUPAC2-azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C15H21NOS/c17-14(13-6-4-11-18-13)16-10-5-9-15(12-16)7-2-1-3-8-15/h4,6,11H,1-3,5,7-10,12H2
InChIKeyMYWBQMGIWJBMAE-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.93
Rot. Bonds1

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

2-azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone (PubChem CID 54580944) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Name2-azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone
PubChem CID54580944
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C15H21NOS/c17-14(13-6-4-11-18-13)16-10-5-9-15(12-16)7-2-1-3-8-15/h4,6,11H,1-3,5,7-10,12H2
InChIKeyMYWBQMGIWJBMAE-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidin-1-yl(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)methanone
CID 2072949
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CID 2741532
1-(4,5,6,7-Tetrahydro-2-benzothien-1-ylcarbonyl)piperidine
CID 596805
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide
CID 2813034
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
(5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6466553
[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]-(2-thienyl)methanone
CID 489822
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone?
The IUPAC name of 2-azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone (CID 54580944) is 2-azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone.
What is the SMILES notation for 2-azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone?
The canonical SMILES for 2-azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone is O=C(c1cccs1)N1CCCC2(CCCCC2)C1.
What is the InChIKey of 2-azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone?
The InChIKey is MYWBQMGIWJBMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c17-14(13-6-4-11-18-13)16-10-5-9-15(12-16)7-2-1-3-8-15/h4,6,11H,1-3,5,7-10,12H2.
What are the key properties of 2-azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone?
2-azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone has a molecular weight of 263.41 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 54580944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).