2-acetamido-N-ethyl-3-methylsulfanylpropanamide

C8H16N2O2S — CID 13048727

IUPAC2-acetamido-N-ethyl-3-methylsulfanylpropanamide
SMILESCCNC(=O)C(CSC)NC(C)=O
InChIInChI=1S/C8H16N2O2S/c1-4-9-8(12)7(5-13-3)10-6(2)11/h7H,4-5H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyMGYFMGITJVIKQQ-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.01
Rot. Bonds5

About 2-acetamido-N-ethyl-3-methylsulfanylpropanamide

2-acetamido-N-ethyl-3-methylsulfanylpropanamide (PubChem CID 13048727) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-acetamido-N-ethyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-ethyl-3-methylsulfanylpropanamide
PubChem CID13048727
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name2-acetamido-N-ethyl-3-methylsulfanylpropanamide
SMILESCCNC(=O)C(CSC)NC(C)=O
InChIInChI=1S/C8H16N2O2S/c1-4-9-8(12)7(5-13-3)10-6(2)11/h7H,4-5H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyMGYFMGITJVIKQQ-UHFFFAOYSA-N
XLogP-0.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82333
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3,3'-thiobis[N-(sec-butyl)propanamide]
CID 2931410
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide
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Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)ester
CID 484333
(2R)-N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145981024
(2R)-2-acetamido-N-cyclohexyl-3-methylsulfanylpropanamide
CID 145990859
Pivalic acid, thio-, S-2-(2-aminoacetamido)ethyl ester, hydrobromide
CID 24843044
Propionamide, N,N'-(dithiodiethylene)bis(2-amino-, L-, dihydrobromide
CID 18631477
(S)-2-Acetamido-4-(methylthio)butanamide
CID 7004900

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-ethyl-3-methylsulfanylpropanamide?
The IUPAC name of 2-acetamido-N-ethyl-3-methylsulfanylpropanamide (CID 13048727) is 2-acetamido-N-ethyl-3-methylsulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-ethyl-3-methylsulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-ethyl-3-methylsulfanylpropanamide is CCNC(=O)C(CSC)NC(C)=O.
What is the InChIKey of 2-acetamido-N-ethyl-3-methylsulfanylpropanamide?
The InChIKey is MGYFMGITJVIKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-4-9-8(12)7(5-13-3)10-6(2)11/h7H,4-5H2,1-3H3,(H,9,12)(H,10,11).
What are the key properties of 2-acetamido-N-ethyl-3-methylsulfanylpropanamide?
2-acetamido-N-ethyl-3-methylsulfanylpropanamide has a molecular weight of 204.29 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-ethyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 13048727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).