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

C14H26N2O2S — CID 115740886

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide
SMILESCC(CCNC(=O)CC1CC2CCC(C1)N2)S(C)=O
InChIInChI=1S/C14H26N2O2S/c1-10(19(2)18)5-6-15-14(17)9-11-7-12-3-4-13(8-11)16-12/h10-13,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyOCAJCVAJJYBVAR-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.18
Rot. Bonds6

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide (PubChem CID 115740886) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide
PubChem CID115740886
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide
SMILESCC(CCNC(=O)CC1CC2CCC(C1)N2)S(C)=O
InChIInChI=1S/C14H26N2O2S/c1-10(19(2)18)5-6-15-14(17)9-11-7-12-3-4-13(8-11)16-12/h10-13,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyOCAJCVAJJYBVAR-UHFFFAOYSA-N
XLogP1.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide with MolForge

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

Launch Full Analysis

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-methylsulfinylpropyl)acetamide
CID 115739281
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide
CID 119799836
N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide
CID 115740896
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 79607673
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide
CID 79610533
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]-N-butan-2-ylpropanamide;hydrochloride
CID 119737591
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-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methoxypentyl)acetamide
CID 103810008
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide
CID 79615389

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide (CID 115740886) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide is CC(CCNC(=O)CC1CC2CCC(C1)N2)S(C)=O.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide?
The InChIKey is OCAJCVAJJYBVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-10(19(2)18)5-6-15-14(17)9-11-7-12-3-4-13(8-11)16-12/h10-13,16H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide has a molecular weight of 286.44 g/mol, XLogP of 1.18, 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-methylsulfinylbutyl)acetamide is sourced from PubChem (CID 115740886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).