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

C12H22N2O3S — CID 79606940

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide
SMILESCS(=O)(=O)CCNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)5-4-13-12(15)8-9-6-10-2-3-11(7-9)14-10/h9-11,14H,2-8H2,1H3,(H,13,15)
InChIKeyVSOHYHIABKSUCL-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.07
Rot. Bonds5

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide (PubChem CID 79606940) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide
PubChem CID79606940
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide
SMILESCS(=O)(=O)CCNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)5-4-13-12(15)8-9-6-10-2-3-11(7-9)14-10/h9-11,14H,2-8H2,1H3,(H,13,15)
InChIKeyVSOHYHIABKSUCL-UHFFFAOYSA-N
XLogP0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2,2-dimethoxyethyl)acetamide
CID 79607693
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-[2-(4-chlorophenyl)sulfonylethyl]acetamide
CID 119725578
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-(1-methylsulfonylpropan-2-yl)acetamide
CID 79614755
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-methylsulfinylpropyl)acetamide
CID 115739281
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
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(benzenesulfonyl)propyl]acetamide
CID 119755174
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(dipropylamino)propyl]acetamide;dihydrochloride
CID 119861221

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide (CID 79606940) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide is CS(=O)(=O)CCNC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is VSOHYHIABKSUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-18(16,17)5-4-13-12(15)8-9-6-10-2-3-11(7-9)14-10/h9-11,14H,2-8H2,1H3,(H,13,15).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 274.39 g/mol, XLogP of 0.07, 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-(2-methylsulfonylethyl)acetamide is sourced from PubChem (CID 79606940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).