2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide

C8H14N2O2S — CID 82181436

IUPAC2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSCCC#N
InChIInChI=1S/C8H14N2O2S/c1-12-5-4-10-8(11)7-13-6-2-3-9/h2,4-7H2,1H3,(H,10,11)
InChIKeyQPYXOMTVIHSABI-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.40
Rot. Bonds7

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

2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide (PubChem CID 82181436) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide
PubChem CID82181436
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSCCC#N
InChIInChI=1S/C8H14N2O2S/c1-12-5-4-10-8(11)7-13-6-2-3-9/h2,4-7H2,1H3,(H,10,11)
InChIKeyQPYXOMTVIHSABI-UHFFFAOYSA-N
XLogP0.40
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.40
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-cyclopentylsulfanyl-N-(2-methoxyethyl)acetamide
CID 52141582
5,9-Dioxo-1-oxa-7-thia-4,10-diazacyclododecane
CID 19866789
S-3-(2-methoxyethylamino)-3-oxopropyl ethanethioate
CID 86709233
N-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide
CID 90738689
N-(2-methoxyethyl)-3-methylsulfanylpropanamide
CID 127504215
ethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide
CID 171646723
S-[2-[2-(2-cyanoethoxy)ethylamino]ethyl] ethanethioate
CID 285218
N-(2-methoxyethyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]sulfanylpropanamide
CID 4100405
2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide
CID 43117416
2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 43249645
2-(2-aminoethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide
CID 43249663
N-(2-methoxyethyl)-2-[(2-propylsulfanylacetyl)amino]acetamide
CID 60494429

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide (CID 82181436) is 2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSCCC#N.
What is the InChIKey of 2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is QPYXOMTVIHSABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-12-5-4-10-8(11)7-13-6-2-3-9/h2,4-7H2,1H3,(H,10,11).
What are the key properties of 2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide?
2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 202.28 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 82181436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).