2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide

C7H12N2O2S — CID 82180848

IUPAC2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSCC#N
InChIInChI=1S/C7H12N2O2S/c1-11-4-3-9-7(10)6-12-5-2-8/h3-6H2,1H3,(H,9,10)
InChIKeyQUOYUOXZASALLR-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.01
Rot. Bonds6

About 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide

2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide (PubChem CID 82180848) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide
PubChem CID82180848
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSCC#N
InChIInChI=1S/C7H12N2O2S/c1-11-4-3-9-7(10)6-12-5-2-8/h3-6H2,1H3,(H,9,10)
InChIKeyQUOYUOXZASALLR-UHFFFAOYSA-N
XLogP0.01
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 82181436
methyl 2-[[2-(cyanomethylsulfanyl)acetyl]amino]acetate
CID 43431550
2-(cyanomethylsulfanyl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83057845
2-(cyanomethylsulfanyl)acetohydrazide
CID 43348499
tert-butyl N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84558140
2-(cyanomethylsulfonyl)-N-(2-methoxyethyl)acetamide
CID 82180952
2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 43392468
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279569
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 66244137
2-(2-methoxyethylsulfanyl)acetonitrile
CID 43446113

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide (CID 82180848) is 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSCC#N.
What is the InChIKey of 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is QUOYUOXZASALLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-11-4-3-9-7(10)6-12-5-2-8/h3-6H2,1H3,(H,9,10).
What are the key properties of 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide?
2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 188.25 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 82180848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).