N-(2-methylsulfanylethyl)-5-oxopentanamide

C8H15NO2S — CID 58340929

IUPACN-(2-methylsulfanylethyl)-5-oxopentanamide
SMILESCSCCNC(=O)CCCC=O
InChIInChI=1S/C8H15NO2S/c1-12-7-5-9-8(11)4-2-3-6-10/h6H,2-5,7H2,1H3,(H,9,11)
InChIKeyISCHMSGWQWAROF-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.83
Rot. Bonds7

About N-(2-methylsulfanylethyl)-5-oxopentanamide

N-(2-methylsulfanylethyl)-5-oxopentanamide (PubChem CID 58340929) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-5-oxopentanamide
PubChem CID58340929
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-(2-methylsulfanylethyl)-5-oxopentanamide
SMILESCSCCNC(=O)CCCC=O
InChIInChI=1S/C8H15NO2S/c1-12-7-5-9-8(11)4-2-3-6-10/h6H,2-5,7H2,1H3,(H,9,11)
InChIKeyISCHMSGWQWAROF-UHFFFAOYSA-N
XLogP0.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methylsulfanylethyl)-5-oxopentanamide with MolForge

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

Launch Full Analysis

Related Compounds

5-hydroxy-N-(2-methylsulfanylethyl)pentanamide
CID 79198659
5-oxo-N-(3-trimethylsilylpropyl)pentanamide
CID 18730827
N-ethyl-5-oxopentanamide
CID 54062498
4-hydroxy-N-(3-methylsulfanylpropyl)butanamide
CID 79191399
4-amino-N-(4-oxobutyl)butanamide
CID 123471049
N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide
CID 119434267
6-oxo-N-pentylhexanamide
CID 90124095
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
14-oxo-N-pentadecyltetradecanamide
CID 90756507
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
3-methylsulfanyl-N-propylpropanamide
CID 60637635
N-(3-oxopropyl)octanamide
CID 163482929

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-5-oxopentanamide?
The IUPAC name of N-(2-methylsulfanylethyl)-5-oxopentanamide (CID 58340929) is N-(2-methylsulfanylethyl)-5-oxopentanamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-5-oxopentanamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-5-oxopentanamide is CSCCNC(=O)CCCC=O.
What is the InChIKey of N-(2-methylsulfanylethyl)-5-oxopentanamide?
The InChIKey is ISCHMSGWQWAROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-12-7-5-9-8(11)4-2-3-6-10/h6H,2-5,7H2,1H3,(H,9,11).
What are the key properties of N-(2-methylsulfanylethyl)-5-oxopentanamide?
N-(2-methylsulfanylethyl)-5-oxopentanamide has a molecular weight of 189.28 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-5-oxopentanamide is sourced from PubChem (CID 58340929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).