N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide

C11H22N2O3S — CID 106161497

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCSC(CO)C(C)NC(=O)COC1(C)CNC1
InChIInChI=1S/C11H22N2O3S/c1-8(9(4-14)17-3)13-10(15)5-16-11(2)6-12-7-11/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyBJNRPSFDAPABAO-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.41
Rot. Bonds7

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 106161497) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID106161497
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCSC(CO)C(C)NC(=O)COC1(C)CNC1
InChIInChI=1S/C11H22N2O3S/c1-8(9(4-14)17-3)13-10(15)5-16-11(2)6-12-7-11/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyBJNRPSFDAPABAO-UHFFFAOYSA-N
XLogP-0.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxypropan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83067654
2-(3-methylazetidin-3-yl)oxy-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 102611643
N-(1-hydroxypentan-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656606
2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 102611630
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid
CID 102656442
N-[(2R)-2-hydroxypropyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107220953
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide
CID 106161649
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611874
2-(3-methylazetidin-3-yl)oxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 102611541
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

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 106161497) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide is CSC(CO)C(C)NC(=O)COC1(C)CNC1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is BJNRPSFDAPABAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-8(9(4-14)17-3)13-10(15)5-16-11(2)6-12-7-11/h8-9,12,14H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 262.37 g/mol, XLogP of -0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 106161497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).