N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylsulfanyl-N-propylacetamide

C13H24N2OS — CID 61230380

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylsulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSC)C1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2OS/c1-3-6-15(13(16)9-17-2)12-7-10-4-5-11(8-12)14-10/h10-12,14H,3-9H2,1-2H3
InChIKeyODAVBWSNVNEAGJ-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.87
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylsulfanyl-N-propylacetamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylsulfanyl-N-propylacetamide (PubChem CID 61230380) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylsulfanyl-N-propylacetamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylsulfanyl-N-propylacetamide
PubChem CID61230380
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylsulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSC)C1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2OS/c1-3-6-15(13(16)9-17-2)12-7-10-4-5-11(8-12)14-10/h10-12,14H,3-9H2,1-2H3
InChIKeyODAVBWSNVNEAGJ-UHFFFAOYSA-N
XLogP1.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.87
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)-2-methylsulfanyl-N-propylacetamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylsulfanyl-N-propylacetamide (CID 61230380) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylsulfanyl-N-propylacetamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylsulfanyl-N-propylacetamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylsulfanyl-N-propylacetamide is CCCN(C(=O)CSC)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylsulfanyl-N-propylacetamide?
The InChIKey is ODAVBWSNVNEAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-3-6-15(13(16)9-17-2)12-7-10-4-5-11(8-12)14-10/h10-12,14H,3-9H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylsulfanyl-N-propylacetamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylsulfanyl-N-propylacetamide has a molecular weight of 256.41 g/mol, XLogP of 1.87, 5 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)-2-methylsulfanyl-N-propylacetamide is sourced from PubChem (CID 61230380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).