1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

C18H22N2OS — CID 122158370

IUPAC1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCN1CCC2(CC1)CCN(C(=O)c1csc3ccccc13)C2
InChIInChI=1S/C18H22N2OS/c1-19-9-6-18(7-10-19)8-11-20(13-18)17(21)15-12-22-16-5-3-2-4-14(15)16/h2-5,12H,6-11,13H2,1H3
InChIKeyFCNAVSJTASBKEA-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.46
Rot. Bonds1

About 1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (PubChem CID 122158370) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
PubChem CID122158370
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCN1CCC2(CC1)CCN(C(=O)c1csc3ccccc13)C2
InChIInChI=1S/C18H22N2OS/c1-19-9-6-18(7-10-19)8-11-20(13-18)17(21)15-12-22-16-5-3-2-4-14(15)16/h2-5,12H,6-11,13H2,1H3
InChIKeyFCNAVSJTASBKEA-UHFFFAOYSA-N
XLogP3.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 50985596
(2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534290
1-benzothiophen-3-yl-(5-hydroxy-3,3-dimethylazepan-1-yl)methanone
CID 126838100
1-benzothiophen-3-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80661319
1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 25236632
N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
CID 25236399
1-benzothiophen-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932774
1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 154738823
2-[4-(1-benzothiophene-3-carbonyl)piperazin-1-yl]propanenitrile
CID 63337420
azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone
CID 24643105
1-(1-benzothiophene-3-carbonyl)-1,4-diazepan-5-one
CID 55153408
1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 17191275

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (CID 122158370) is 1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is CN1CCC2(CC1)CCN(C(=O)c1csc3ccccc13)C2.
What is the InChIKey of 1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The InChIKey is FCNAVSJTASBKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-19-9-6-18(7-10-19)8-11-20(13-18)17(21)15-12-22-16-5-3-2-4-14(15)16/h2-5,12H,6-11,13H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone has a molecular weight of 314.45 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 122158370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).