2-(2-methoxyethylsulfanyl)acetamide;hydrochloride

C5H12ClNO2S — CID 88501364

IUPAC2-(2-methoxyethylsulfanyl)acetamide;hydrochloride
SMILESCOCCSCC(N)=O.Cl
InChIInChI=1S/C5H11NO2S.ClH/c1-8-2-3-9-4-5(6)7;/h2-4H2,1H3,(H2,6,7);1H
InChIKeyJLKRSYYDLAWDMX-UHFFFAOYSA-N
MW185.68 g/mol
LogP0.27
Rot. Bonds5

About 2-(2-methoxyethylsulfanyl)acetamide;hydrochloride

2-(2-methoxyethylsulfanyl)acetamide;hydrochloride (PubChem CID 88501364) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)acetamide;hydrochloride
PubChem CID88501364
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name2-(2-methoxyethylsulfanyl)acetamide;hydrochloride
SMILESCOCCSCC(N)=O.Cl
InChIInChI=1S/C5H11NO2S.ClH/c1-8-2-3-9-4-5(6)7;/h2-4H2,1H3,(H2,6,7);1H
InChIKeyJLKRSYYDLAWDMX-UHFFFAOYSA-N
XLogP0.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-2-oxoethyl)sulfanylethyl nitrate
CID 143690826
4-methoxybutanamide;hydrochloride
CID 141117964
3-(2-methoxyethylsulfanyl)propanoic acid
CID 24706502
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-methoxyethylsulfanyl)ethanone
CID 106671765
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methoxyethylsulfanyl)ethanone
CID 63764318
N-cyclopentyloxy-2-(2-methoxyethylsulfanyl)acetamide
CID 83207353
2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide
CID 114618631
2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid
CID 43465329
4-methoxybutanamide
CID 22414177
2-(4-methoxybutylsulfanyl)acetic acid
CID 104646818
N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide
CID 115283379
1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone
CID 43801623

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylsulfanyl)acetamide;hydrochloride (CID 88501364) is 2-(2-methoxyethylsulfanyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)acetamide;hydrochloride is COCCSCC(N)=O.Cl.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)acetamide;hydrochloride?
The InChIKey is JLKRSYYDLAWDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.ClH/c1-8-2-3-9-4-5(6)7;/h2-4H2,1H3,(H2,6,7);1H.
What are the key properties of 2-(2-methoxyethylsulfanyl)acetamide;hydrochloride?
2-(2-methoxyethylsulfanyl)acetamide;hydrochloride has a molecular weight of 185.68 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)acetamide;hydrochloride is sourced from PubChem (CID 88501364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).