N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C14H27ClN2O2S — CID 119940507

IUPACN-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOCCC1(CNC(=O)CC2CSCCN2)CCC1.Cl
InChIInChI=1S/C14H26N2O2S.ClH/c1-18-7-5-14(3-2-4-14)11-16-13(17)9-12-10-19-8-6-15-12;/h12,15H,2-11H2,1H3,(H,16,17);1H
InChIKeyZGTDIVNJDMJBHY-UHFFFAOYSA-N
MW322.90 g/mol
LogP1.83
Rot. Bonds7

About N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119940507) has the molecular formula C14H27ClN2O2S and a molecular weight of 322.90 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119940507
Molecular FormulaC14H27ClN2O2S
Molecular Weight322.90 g/mol
Exact Mass322.15
IUPAC NameN-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOCCC1(CNC(=O)CC2CSCCN2)CCC1.Cl
InChIInChI=1S/C14H26N2O2S.ClH/c1-18-7-5-14(3-2-4-14)11-16-13(17)9-12-10-19-8-6-15-12;/h12,15H,2-11H2,1H3,(H,16,17);1H
InChIKeyZGTDIVNJDMJBHY-UHFFFAOYSA-N
XLogP1.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.90
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940566
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119812139
N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422108
N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940106
N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 114116108
N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119935290
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422109
N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 114163687
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820378
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-thiomorpholin-3-ylacetamide
CID 119941360
N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide
CID 66422291
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119940507) is N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is COCCC1(CNC(=O)CC2CSCCN2)CCC1.Cl.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is ZGTDIVNJDMJBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S.ClH/c1-18-7-5-14(3-2-4-14)11-16-13(17)9-12-10-19-8-6-15-12;/h12,15H,2-11H2,1H3,(H,16,17);1H.
What are the key properties of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 322.90 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119940507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).