1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone

C17H19NO2S — CID 122135983

IUPAC1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone
SMILESO=C(c1csc2ccccc12)N1CCC(O)C12CCCC2
InChIInChI=1S/C17H19NO2S/c19-15-7-10-18(17(15)8-3-4-9-17)16(20)13-11-21-14-6-2-1-5-12(13)14/h1-2,5-6,11,15,19H,3-4,7-10H2
InChIKeyFOARJXKEUJESNS-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.42
Rot. Bonds1

About 1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone

1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone (PubChem CID 122135983) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone
PubChem CID122135983
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone
SMILESO=C(c1csc2ccccc12)N1CCC(O)C12CCCC2
InChIInChI=1S/C17H19NO2S/c19-15-7-10-18(17(15)8-3-4-9-17)16(20)13-11-21-14-6-2-1-5-12(13)14/h1-2,5-6,11,15,19H,3-4,7-10H2
InChIKeyFOARJXKEUJESNS-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-[(4R)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]methanone
CID 125143781
azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone
CID 24643105
1-benzothiophen-3-yl-(5-hydroxy-3,3-dimethylazepan-1-yl)methanone
CID 126838100
1-benzothiophen-3-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636244
1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 154738823
1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55185518
1-(1-benzothiophene-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036347
1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone
CID 107176367
1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 122158370
1-benzothiophen-3-yl-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone
CID 166435479
3-[(3S)-1-(1-benzothiophene-3-carbonyl)piperidin-3-yl]propanoic acid
CID 124700764
1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471975

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone (CID 122135983) is 1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone is O=C(c1csc2ccccc12)N1CCC(O)C12CCCC2.
What is the InChIKey of 1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone?
The InChIKey is FOARJXKEUJESNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-15-7-10-18(17(15)8-3-4-9-17)16(20)13-11-21-14-6-2-1-5-12(13)14/h1-2,5-6,11,15,19H,3-4,7-10H2.
What are the key properties of 1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone?
1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone has a molecular weight of 301.41 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methanone is sourced from PubChem (CID 122135983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).