2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide

C13H24N2O2S — CID 115739281

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide
SMILESCS(=O)CCCNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2O2S/c1-18(17)6-2-5-14-13(16)9-10-7-11-3-4-12(8-10)15-11/h10-12,15H,2-9H2,1H3,(H,14,16)
InChIKeySUPHWUGLZILRJQ-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.79
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide (PubChem CID 115739281) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide
PubChem CID115739281
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide
SMILESCS(=O)CCCNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2O2S/c1-18(17)6-2-5-14-13(16)9-10-7-11-3-4-12(8-10)15-11/h10-12,15H,2-9H2,1H3,(H,14,16)
InChIKeySUPHWUGLZILRJQ-UHFFFAOYSA-N
XLogP0.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfinylethyl)acetamide
CID 115739227
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 79607673
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide
CID 115740886
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methoxypentyl)acetamide
CID 103810008
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(dipropylamino)propyl]acetamide;dihydrochloride
CID 119861221
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide
CID 119831249
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide
CID 79606940
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide
CID 79607251
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 79610567
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide
CID 124693226
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride
CID 119863867
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738495

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide (CID 115739281) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide is CS(=O)CCCNC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide?
The InChIKey is SUPHWUGLZILRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-18(17)6-2-5-14-13(16)9-10-7-11-3-4-12(8-10)15-11/h10-12,15H,2-9H2,1H3,(H,14,16).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide has a molecular weight of 272.41 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide is sourced from PubChem (CID 115739281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).