N-(2-sulfanylethyl)acetamide

C4H9NOS — CID 14484

IUPACN-(2-sulfanylethyl)acetamide
SMILESCC(=O)NCCS
InChIInChI=1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6)
InChIKeyAXFZADXWLMXITO-UHFFFAOYSA-N
MW119.19 g/mol
LogP0.05
Rot. Bonds2

About N-(2-sulfanylethyl)acetamide

N-(2-sulfanylethyl)acetamide (PubChem CID 14484) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is N-(2-sulfanylethyl)acetamide.

Molecular Properties

Compound NameN-(2-sulfanylethyl)acetamide
PubChem CID14484
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC NameN-(2-sulfanylethyl)acetamide
SMILESCC(=O)NCCS
InChIInChI=1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6)
InChIKeyAXFZADXWLMXITO-UHFFFAOYSA-N
XLogP0.05
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-(Dithiodiethylene)bisacetamide
CID 12526
Ethylene bis mercaptoacetamide
CID 368250
N-(2-methylsulfanylethyl)acetamide
CID 2245987
Ethanethioic acid, S-(2-(acetylamino)ethyl) ester
CID 14997
Propanamide, N-(2-mercaptoethyl)-
CID 105408
N-methyl-2-sulfanylacetamide
CID 4047279
N-(2-Sulfanylpropyl)ethanimidic acid
CID 3078302
N-(2-Sulfanylethyl)butanamide
CID 22222166
N-(2-(3-(2-(Acetylamino)ethyl)trisulfanyl)ethyl)acetamide
CID 334898
N-propyl mercaptoacetamide
CID 11116110
N-(3-Aminopropyl)-2-mercaptopropionamide
CID 522758
N-[3-(Methylsulfanyl)propyl]acetamide
CID 14296346

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylethyl)acetamide?
The IUPAC name of N-(2-sulfanylethyl)acetamide (CID 14484) is N-(2-sulfanylethyl)acetamide.
What is the SMILES notation for N-(2-sulfanylethyl)acetamide?
The canonical SMILES for N-(2-sulfanylethyl)acetamide is CC(=O)NCCS.
What is the InChIKey of N-(2-sulfanylethyl)acetamide?
The InChIKey is AXFZADXWLMXITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6).
What are the key properties of N-(2-sulfanylethyl)acetamide?
N-(2-sulfanylethyl)acetamide has a molecular weight of 119.19 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylethyl)acetamide is sourced from PubChem (CID 14484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).