2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetamide;hydrochloride

C10H19ClN2OS — CID 67758612

IUPAC2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetamide;hydrochloride
SMILESCN1C2CCC1CC(SCC(N)=O)C2.Cl
InChIInChI=1S/C10H18N2OS.ClH/c1-12-7-2-3-8(12)5-9(4-7)14-6-10(11)13;/h7-9H,2-6H2,1H3,(H2,11,13);1H
InChIKeyXEOGKLDDZYBULI-UHFFFAOYSA-N
MW250.79 g/mol
LogP1.25
Rot. Bonds3

About 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetamide;hydrochloride

2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetamide;hydrochloride (PubChem CID 67758612) has the molecular formula C10H19ClN2OS and a molecular weight of 250.79 g/mol. Its IUPAC name is 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetamide;hydrochloride
PubChem CID67758612
Molecular FormulaC10H19ClN2OS
Molecular Weight250.79 g/mol
Exact Mass250.09
IUPAC Name2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetamide;hydrochloride
SMILESCN1C2CCC1CC(SCC(N)=O)C2.Cl
InChIInChI=1S/C10H18N2OS.ClH/c1-12-7-2-3-8(12)5-9(4-7)14-6-10(11)13;/h7-9H,2-6H2,1H3,(H2,11,13);1H
InChIKeyXEOGKLDDZYBULI-UHFFFAOYSA-N
XLogP1.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.79
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetamide;hydrochloride?
The IUPAC name of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetamide;hydrochloride (CID 67758612) is 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetamide;hydrochloride?
The canonical SMILES for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetamide;hydrochloride is CN1C2CCC1CC(SCC(N)=O)C2.Cl.
What is the InChIKey of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetamide;hydrochloride?
The InChIKey is XEOGKLDDZYBULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS.ClH/c1-12-7-2-3-8(12)5-9(4-7)14-6-10(11)13;/h7-9H,2-6H2,1H3,(H2,11,13);1H.
What are the key properties of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetamide;hydrochloride?
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanyl]acetamide;hydrochloride has a molecular weight of 250.79 g/mol, XLogP of 1.25, 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]acetamide;hydrochloride is sourced from PubChem (CID 67758612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).