2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone

C15H25NO3S2 — CID 129373887

IUPAC2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESCS(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1CCCC1
InChIInChI=1S/C15H25NO3S2/c1-21(18,19)14-8-11-6-7-12(9-14)16(11)15(17)10-20-13-4-2-3-5-13/h11-14H,2-10H2,1H3/t11-,12+,14?
InChIKeyRJLGLFUMTMBLRH-ONXXMXGDSA-N
MW331.50 g/mol
LogP2.23
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone

2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone (PubChem CID 129373887) has the molecular formula C15H25NO3S2 and a molecular weight of 331.50 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone
PubChem CID129373887
Molecular FormulaC15H25NO3S2
Molecular Weight331.50 g/mol
Exact Mass331.13
IUPAC Name2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESCS(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1CCCC1
InChIInChI=1S/C15H25NO3S2/c1-21(18,19)14-8-11-6-7-12(9-14)16(11)15(17)10-20-13-4-2-3-5-13/h11-14H,2-10H2,1H3/t11-,12+,14?
InChIKeyRJLGLFUMTMBLRH-ONXXMXGDSA-N
XLogP2.23
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone with MolForge

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Related Compounds

3-Cyclopentylsulfonyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 51081804
4,4,4-Trifluoro-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
CID 90591034
2,2,2-Trifluoro-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90591079
1-(2,6-Dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone
CID 71878209
1-(8-Azabicyclo[3.2.1]octan-8-yl)-2-butylsulfanylethanone
CID 90844163
1-(2-Methylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfanyl)ethanone
CID 53604251
2-Cyclopentylsulfonyl-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 53615730
N-cycloheptyl-2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 60357454
N-cyclohexyl-2-(1,1-dioxothiolan-3-yl)sulfanyl-N-ethylacetamide
CID 60368058
1-(2,6-Dimethylpiperidin-1-yl)-2-ethylsulfonylethanone
CID 60452723
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-propan-2-ylsulfanylacetamide
CID 71898003
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-propylsulfonylethanone
CID 71985824

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone (CID 129373887) is 2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone is CS(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The InChIKey is RJLGLFUMTMBLRH-ONXXMXGDSA-N. The full InChI is InChI=1S/C15H25NO3S2/c1-21(18,19)14-8-11-6-7-12(9-14)16(11)15(17)10-20-13-4-2-3-5-13/h11-14H,2-10H2,1H3/t11-,12+,14?.
What are the key properties of 2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone has a molecular weight of 331.50 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone is sourced from PubChem (CID 129373887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).