N-(2-methylsulfanylethyl)acetamide

C5H11NOS — CID 2245987

IUPACN-(2-methylsulfanylethyl)acetamide
SMILESCC(=O)NCCSC
InChIInChI=1S/C5H11NOS/c1-5(7)6-3-4-8-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyOPEGPBVNAJOJNQ-UHFFFAOYSA-N
MW133.21 g/mol
LogP0.20
Rot. Bonds3

About N-(2-methylsulfanylethyl)acetamide

N-(2-methylsulfanylethyl)acetamide (PubChem CID 2245987) has the molecular formula C5H11NOS and a molecular weight of 133.21 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)acetamide
PubChem CID2245987
Molecular FormulaC5H11NOS
Molecular Weight133.21 g/mol
Exact Mass133.06
IUPAC NameN-(2-methylsulfanylethyl)acetamide
SMILESCC(=O)NCCSC
InChIInChI=1S/C5H11NOS/c1-5(7)6-3-4-8-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyOPEGPBVNAJOJNQ-UHFFFAOYSA-N
XLogP0.20
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity74

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetylcysteamine
CID 14484
1,4-Tetrahydrothiazine-3-one
CID 88402
Ethanethioic acid, S-(2-(acetylamino)ethyl) ester
CID 14997
Propanamide, N-(2-mercaptoethyl)-
CID 105408
N-Acetylthioglycine S-ethyl ester
CID 15553243
N-(2-methylsulfanylethyl)butanamide
CID 2245988
N-(2-Sulfanylpropyl)ethanimidic acid
CID 3078302
N-glycyl-S-acetylcys-teamine
CID 57212
N-{2-[(2-Acetamidoethyl)sulfanyl]ethyl}acetamide
CID 2053712
2-methylthio-N-methylacetamide
CID 13553138
Glycine, thio-, S-2-acetamidoethyl ester, hydrobromide
CID 59814
3-(methylsulfanyl)-N-(propan-2-yl)propanamide
CID 21304893

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)acetamide?
The IUPAC name of N-(2-methylsulfanylethyl)acetamide (CID 2245987) is N-(2-methylsulfanylethyl)acetamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)acetamide?
The canonical SMILES for N-(2-methylsulfanylethyl)acetamide is CC(=O)NCCSC.
What is the InChIKey of N-(2-methylsulfanylethyl)acetamide?
The InChIKey is OPEGPBVNAJOJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-5(7)6-3-4-8-2/h3-4H2,1-2H3,(H,6,7).
What are the key properties of N-(2-methylsulfanylethyl)acetamide?
N-(2-methylsulfanylethyl)acetamide has a molecular weight of 133.21 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)acetamide is sourced from PubChem (CID 2245987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).