2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide

C11H22N2O2S — CID 102611630

IUPAC2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)CNC(=O)COC1(C)CNC1
InChIInChI=1S/C11H22N2O2S/c1-9(6-16-3)4-13-10(14)5-15-11(2)7-12-8-11/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyGWRIXKMTJQDJMM-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.48
Rot. Bonds7

About 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide

2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide (PubChem CID 102611630) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide
PubChem CID102611630
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)CNC(=O)COC1(C)CNC1
InChIInChI=1S/C11H22N2O2S/c1-9(6-16-3)4-13-10(14)5-15-11(2)7-12-8-11/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyGWRIXKMTJQDJMM-UHFFFAOYSA-N
XLogP0.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxypropyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107220953
N-(2,3-dimethylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611702
N-(2,2-difluoroethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611604
N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611709
N-(2-cyanopropyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656133
N-(2-cyclopropylpropyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611512
N-(2-hydroxybutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656602
4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid
CID 102656356
2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide
CID 102610917
N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611730
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 106161497

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide (CID 102611630) is 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide is CSCC(C)CNC(=O)COC1(C)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide?
The InChIKey is GWRIXKMTJQDJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9(6-16-3)4-13-10(14)5-15-11(2)7-12-8-11/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide?
2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide has a molecular weight of 246.38 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 102611630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).