2-chloro-N-(2-ethylsulfanylethyl)acetamide

C6H12ClNOS — CID 82110577

IUPAC2-chloro-N-(2-ethylsulfanylethyl)acetamide
SMILESCCSCCNC(=O)CCl
InChIInChI=1S/C6H12ClNOS/c1-2-10-4-3-8-6(9)5-7/h2-5H2,1H3,(H,8,9)
InChIKeyIBBWSWORESBTAS-UHFFFAOYSA-N
MW181.69 g/mol
LogP1.09
Rot. Bonds5

About 2-chloro-N-(2-ethylsulfanylethyl)acetamide

2-chloro-N-(2-ethylsulfanylethyl)acetamide (PubChem CID 82110577) has the molecular formula C6H12ClNOS and a molecular weight of 181.69 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethylsulfanylethyl)acetamide
PubChem CID82110577
Molecular FormulaC6H12ClNOS
Molecular Weight181.69 g/mol
Exact Mass181.03
IUPAC Name2-chloro-N-(2-ethylsulfanylethyl)acetamide
SMILESCCSCCNC(=O)CCl
InChIInChI=1S/C6H12ClNOS/c1-2-10-4-3-8-6(9)5-7/h2-5H2,1H3,(H,8,9)
InChIKeyIBBWSWORESBTAS-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.69
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-ethylsulfanylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylsulfanylethyl)acetamide?
The IUPAC name of 2-chloro-N-(2-ethylsulfanylethyl)acetamide (CID 82110577) is 2-chloro-N-(2-ethylsulfanylethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-ethylsulfanylethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-ethylsulfanylethyl)acetamide is CCSCCNC(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-ethylsulfanylethyl)acetamide?
The InChIKey is IBBWSWORESBTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNOS/c1-2-10-4-3-8-6(9)5-7/h2-5H2,1H3,(H,8,9).
What are the key properties of 2-chloro-N-(2-ethylsulfanylethyl)acetamide?
2-chloro-N-(2-ethylsulfanylethyl)acetamide has a molecular weight of 181.69 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylsulfanylethyl)acetamide is sourced from PubChem (CID 82110577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).