N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-methylsulfanylpropanamide

C12H22N2OS — CID 61232395

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

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-methylsulfanylpropanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-methylsulfanylpropanamide (PubChem CID 61232395) 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-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-methylsulfanylpropanamide
PubChem CID61232395
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C12H22N2OS/c1-14(12(15)5-6-16-2)11-7-9-3-4-10(8-11)13-9/h9-11,13H,3-8H2,1-2H3
InChIKeyMIWFSJQVXXFUGV-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

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-methylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-methylsulfanylpropanamide (CID 61232395) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-methylsulfanylpropanamide is CSCCC(=O)N(C)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-methylsulfanylpropanamide?
The InChIKey is MIWFSJQVXXFUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-14(12(15)5-6-16-2)11-7-9-3-4-10(8-11)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-methyl-3-methylsulfanylpropanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-methylsulfanylpropanamide 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-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 61232395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).