2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C16H27NOS — CID 90616040

IUPAC2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCSC1CC2CCC(C1)N2C(=O)CC1CCCCC1
InChIInChI=1S/C16H27NOS/c1-19-15-10-13-7-8-14(11-15)17(13)16(18)9-12-5-3-2-4-6-12/h12-15H,2-11H2,1H3
InChIKeyFDGORRAFCAHVKX-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.84
Rot. Bonds3

About 2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone

2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 90616040) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID90616040
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCSC1CC2CCC(C1)N2C(=O)CC1CCCCC1
InChIInChI=1S/C16H27NOS/c1-19-15-10-13-7-8-14(11-15)17(13)16(18)9-12-5-3-2-4-6-12/h12-15H,2-11H2,1H3
InChIKeyFDGORRAFCAHVKX-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90590789
3-methoxy-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 90615984
2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone
CID 100698504
1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenoxyethanone
CID 90615849
2-cyclohexyl-1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 63909211
2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone
CID 129373887
(1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90615980
1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-cyclopentylethanone
CID 124835824
2-(4-ethoxyphenyl)-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90615882
2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 63911167
3-(3,4-dichlorophenyl)-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 90615947
2-(3,4-dimethoxyphenyl)-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90615901

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 90616040) is 2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone is CSC1CC2CCC(C1)N2C(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is FDGORRAFCAHVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-19-15-10-13-7-8-14(11-15)17(13)16(18)9-12-5-3-2-4-6-12/h12-15H,2-11H2,1H3.
What are the key properties of 2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 281.46 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 90616040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).