2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide

C13H24N2O3S — CID 79614755

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide
SMILESCC(CS(C)(=O)=O)NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2O3S/c1-9(8-19(2,17)18)14-13(16)7-10-5-11-3-4-12(6-10)15-11/h9-12,15H,3-8H2,1-2H3,(H,14,16)
InChIKeySQEGPWCALJKZOF-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.46
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide (PubChem CID 79614755) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide
PubChem CID79614755
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide
SMILESCC(CS(C)(=O)=O)NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2O3S/c1-9(8-19(2,17)18)14-13(16)7-10-5-11-3-4-12(6-10)15-11/h9-12,15H,3-8H2,1-2H3,(H,14,16)
InChIKeySQEGPWCALJKZOF-UHFFFAOYSA-N
XLogP0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(2S)-1-methylsulfanylpropan-2-yl]acetamide
CID 124592903
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methylhexan-2-yl)acetamide;hydrochloride
CID 119674904
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid
CID 79615753
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 79607442
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methoxybutan-2-yl)acetamide
CID 79615755
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide
CID 79606940
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride
CID 119863526
(2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80750585
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpropanamide
CID 79607169
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide
CID 79610533
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 79607263

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide (CID 79614755) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide is CC(CS(C)(=O)=O)NC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide?
The InChIKey is SQEGPWCALJKZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-9(8-19(2,17)18)14-13(16)7-10-5-11-3-4-12(6-10)15-11/h9-12,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide has a molecular weight of 288.41 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide is sourced from PubChem (CID 79614755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).