2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C19H24N2O3S — CID 90591018

IUPAC2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCn1cc(CC(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c2ccccc21
InChIInChI=1S/C19H24N2O3S/c1-20-12-13(17-5-3-4-6-18(17)20)9-19(22)21-14-7-8-15(21)11-16(10-14)25(2,23)24/h3-6,12,14-16H,7-11H2,1-2H3
InChIKeyZZBYLZAKXKLYLZ-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.29
Rot. Bonds3

About 2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone

2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 90591018) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID90591018
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCn1cc(CC(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c2ccccc21
InChIInChI=1S/C19H24N2O3S/c1-20-12-13(17-5-3-4-6-18(17)20)9-19(22)21-14-7-8-15(21)11-16(10-14)25(2,23)24/h3-6,12,14-16H,7-11H2,1-2H3
InChIKeyZZBYLZAKXKLYLZ-UHFFFAOYSA-N
XLogP2.29
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone with MolForge

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Related Compounds

1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-3-phenylpropan-1-one
CID 90590801
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153975
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
2-(1-methylindol-3-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95294044
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
N-cyclopropyl-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 67395295
N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide
CID 139599568
N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810
2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90590986
1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone
CID 122255438
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 90591018) is 2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone is Cn1cc(CC(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is ZZBYLZAKXKLYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-20-12-13(17-5-3-4-6-18(17)20)9-19(22)21-14-7-8-15(21)11-16(10-14)25(2,23)24/h3-6,12,14-16H,7-11H2,1-2H3.
What are the key properties of 2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 360.48 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 90591018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).