N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylsulfanylacetamide

C12H22N2OS — CID 61230937

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylsulfanylacetamide
SMILESCCN(C(=O)CSC)C1CC2CCC(C1)N2
InChIInChI=1S/C12H22N2OS/c1-3-14(12(15)8-16-2)11-6-9-4-5-10(7-11)13-9/h9-11,13H,3-8H2,1-2H3
InChIKeyGHRLPZSMYBQMCP-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.48
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylsulfanylacetamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylsulfanylacetamide (PubChem CID 61230937) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylsulfanylacetamide
PubChem CID61230937
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylsulfanylacetamide
SMILESCCN(C(=O)CSC)C1CC2CCC(C1)N2
InChIInChI=1S/C12H22N2OS/c1-3-14(12(15)8-16-2)11-6-9-4-5-10(7-11)13-9/h9-11,13H,3-8H2,1-2H3
InChIKeyGHRLPZSMYBQMCP-UHFFFAOYSA-N
XLogP1.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylsulfanylacetamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylsulfanylacetamide (CID 61230937) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylsulfanylacetamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylsulfanylacetamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylsulfanylacetamide is CCN(C(=O)CSC)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylsulfanylacetamide?
The InChIKey is GHRLPZSMYBQMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-14(12(15)8-16-2)11-6-9-4-5-10(7-11)13-9/h9-11,13H,3-8H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylsulfanylacetamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylsulfanylacetamide has a molecular weight of 242.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylsulfanylacetamide is sourced from PubChem (CID 61230937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).