N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide

C13H26N2O2S — CID 102611730

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCCC(CC)(CNC(=O)COC1(C)CNC1)SC
InChIInChI=1S/C13H26N2O2S/c1-5-13(6-2,18-4)10-15-11(16)7-17-12(3)8-14-9-12/h14H,5-10H2,1-4H3,(H,15,16)
InChIKeyKWOJUWQRKHAVFH-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.40
Rot. Bonds8

About N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102611730) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102611730
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCCC(CC)(CNC(=O)COC1(C)CNC1)SC
InChIInChI=1S/C13H26N2O2S/c1-5-13(6-2,18-4)10-15-11(16)7-17-12(3)8-14-9-12/h14H,5-10H2,1-4H3,(H,15,16)
InChIKeyKWOJUWQRKHAVFH-UHFFFAOYSA-N
XLogP1.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 106255080
N-[(2R)-2-hydroxypropyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107220953
2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 102611630
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
N-(2-hydroxybutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656602
N-(2,2-difluoroethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611604
N-(2,3-dimethylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611702
2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide
CID 102610917
N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide
CID 102611576
2-(ethylamino)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide
CID 103812546
2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate
CID 102656535
2-(3-methylazetidin-3-yl)oxy-N-[(2-methylcyclopropyl)methyl]acetamide
CID 102611285

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102611730) is N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide is CCC(CC)(CNC(=O)COC1(C)CNC1)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is KWOJUWQRKHAVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-5-13(6-2,18-4)10-15-11(16)7-17-12(3)8-14-9-12/h14H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 274.43 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102611730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).