1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one

C15H21NOS — CID 166247239

IUPAC1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one
SMILESCC(C(=O)N1CCCC2(CC1)CC2)c1ccsc1
InChIInChI=1S/C15H21NOS/c1-12(13-3-10-18-11-13)14(17)16-8-2-4-15(5-6-15)7-9-16/h3,10-12H,2,4-9H2,1H3
InChIKeyZEGFJOBJPXOCLP-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.64
Rot. Bonds2

About 1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one

1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one (PubChem CID 166247239) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one
PubChem CID166247239
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one
SMILESCC(C(=O)N1CCCC2(CC1)CC2)c1ccsc1
InChIInChI=1S/C15H21NOS/c1-12(13-3-10-18-11-13)14(17)16-8-2-4-15(5-6-15)7-9-16/h3,10-12H,2,4-9H2,1H3
InChIKeyZEGFJOBJPXOCLP-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one;hydrochloride
CID 120803852
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 111435943
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 119410172
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one
CID 120814120
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
(2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 95905579
(3R)-3-thiophen-3-ylbutan-2-one
CID 90139651
1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
CID 130721457
(2S,3S)-2-methyl-1-(2-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 122115966
(2R)-1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 95773874
2-thiophen-3-ylpropanoic acid;hydrochloride
CID 67842901
(2S)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 95773712

Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one (CID 166247239) is 1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one is CC(C(=O)N1CCCC2(CC1)CC2)c1ccsc1.
What is the InChIKey of 1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one?
The InChIKey is ZEGFJOBJPXOCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-12(13-3-10-18-11-13)14(17)16-8-2-4-15(5-6-15)7-9-16/h3,10-12H,2,4-9H2,1H3.
What are the key properties of 1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one?
1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one has a molecular weight of 263.41 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 166247239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).