2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetic acid

C10H17NO2S — CID 57496829

IUPAC2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetic acid
SMILESCN1C2CCC1CC(SCC(=O)O)C2
InChIInChI=1S/C10H17NO2S/c1-11-7-2-3-8(11)5-9(4-7)14-6-10(12)13/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeySWMBUDOQPXOFSQ-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.43
Rot. Bonds3

About 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetic acid

2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetic acid (PubChem CID 57496829) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetic acid
PubChem CID57496829
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetic acid
SMILESCN1C2CCC1CC(SCC(=O)O)C2
InChIInChI=1S/C10H17NO2S/c1-11-7-2-3-8(11)5-9(4-7)14-6-10(12)13/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeySWMBUDOQPXOFSQ-UHFFFAOYSA-N
XLogP1.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-Fluoro-1-propan-2-ylpiperidin-2-yl)methylsulfanyl]acetic acid
CID 134534022
2-[(5-Fluoro-1-methylpiperidin-2-yl)methylsulfanyl]acetic acid
CID 142350823
2-[[(2S)-1-methylpyrrolidin-2-yl]methylsulfanyl]acetic acid
CID 20680525
2-[(1-Methylpyrrolidin-2-yl)methylsulfanyl]acetic acid
CID 22056680
2-[[(2R)-1-methylpiperidin-2-yl]methylsulfanyl]acetic acid
CID 53739774
2-[(1-Methylpiperidin-2-yl)methylsulfanyl]acetic acid
CID 53739775
S-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ethanethioate
CID 58762877
S-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ethanethioate
CID 72415923
3-Acetylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 155100521
2-[2-(1-Methylpiperidin-2-yl)ethylsulfanyl]acetic acid
CID 43092724
2-[2-(1-Methylpiperidin-2-yl)ethylsulfanyl]propanoic acid
CID 43241478
3-[2-(1-Methylpiperidin-2-yl)ethylsulfanyl]propanoic acid
CID 43241485

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetic acid (CID 57496829) is 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetic acid is CN1C2CCC1CC(SCC(=O)O)C2.
What is the InChIKey of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetic acid?
The InChIKey is SWMBUDOQPXOFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-11-7-2-3-8(11)5-9(4-7)14-6-10(12)13/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetic acid?
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetic acid has a molecular weight of 215.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetic acid is sourced from PubChem (CID 57496829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).