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

C15H25NO3S — CID 90590789

IUPAC2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCS(=O)(=O)C1CC2CCC(C1)N2C(=O)CC1CCCC1
InChIInChI=1S/C15H25NO3S/c1-20(18,19)14-9-12-6-7-13(10-14)16(12)15(17)8-11-4-2-3-5-11/h11-14H,2-10H2,1H3
InChIKeyOEOLUUSYIJWQAL-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.13
Rot. Bonds3

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

2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 90590789) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID90590789
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCS(=O)(=O)C1CC2CCC(C1)N2C(=O)CC1CCCC1
InChIInChI=1S/C15H25NO3S/c1-20(18,19)14-9-12-6-7-13(10-14)16(12)15(17)8-11-4-2-3-5-11/h11-14H,2-10H2,1H3
InChIKeyOEOLUUSYIJWQAL-UHFFFAOYSA-N
XLogP2.13
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 90590789) is 2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone is CS(=O)(=O)C1CC2CCC(C1)N2C(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is OEOLUUSYIJWQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-20(18,19)14-9-12-6-7-13(10-14)16(12)15(17)8-11-4-2-3-5-11/h11-14H,2-10H2,1H3.
What are the key properties of 2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 299.44 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 90590789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).