2-methoxy-4-oxo-N-(2-sulfanylethyl)pentanamide

C8H15NO3S — CID 130471925

IUPAC2-methoxy-4-oxo-N-(2-sulfanylethyl)pentanamide
SMILESCOC(CC(C)=O)C(=O)NCCS
InChIInChI=1S/C8H15NO3S/c1-6(10)5-7(12-2)8(11)9-3-4-13/h7,13H,3-5H2,1-2H3,(H,9,11)
InChIKeyJZNDTOWBGRKQIE-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.03
Rot. Bonds6

About 2-methoxy-4-oxo-N-(2-sulfanylethyl)pentanamide

2-methoxy-4-oxo-N-(2-sulfanylethyl)pentanamide (PubChem CID 130471925) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-methoxy-4-oxo-N-(2-sulfanylethyl)pentanamide.

Molecular Properties

Compound Name2-methoxy-4-oxo-N-(2-sulfanylethyl)pentanamide
PubChem CID130471925
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name2-methoxy-4-oxo-N-(2-sulfanylethyl)pentanamide
SMILESCOC(CC(C)=O)C(=O)NCCS
InChIInChI=1S/C8H15NO3S/c1-6(10)5-7(12-2)8(11)9-3-4-13/h7,13H,3-5H2,1-2H3,(H,9,11)
InChIKeyJZNDTOWBGRKQIE-UHFFFAOYSA-N
XLogP0.03
TPSA55.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxo-N-(2-sulfanylethyl)hexanamide
CID 130466649
2-methoxy-N-[2-[[3-(methylamino)-3-oxopropyl]disulfanyl]ethyl]-4-oxopentanamide
CID 132185732
3-[2-[(2-Methoxy-4-oxopentanoyl)amino]ethyldisulfanyl]propanoic acid
CID 132186172
(2S)-3-acetyl-N-propyloxirane-2-carboxamide
CID 149238518
ethane;4-oxo-N-[2-(2-sulfanylethoxy)ethyl]pentanamide
CID 164880817
4-oxo-N-[2-(2-sulfanylethoxy)ethyl]pentanamide
CID 164880818

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-oxo-N-(2-sulfanylethyl)pentanamide?
The IUPAC name of 2-methoxy-4-oxo-N-(2-sulfanylethyl)pentanamide (CID 130471925) is 2-methoxy-4-oxo-N-(2-sulfanylethyl)pentanamide.
What is the SMILES notation for 2-methoxy-4-oxo-N-(2-sulfanylethyl)pentanamide?
The canonical SMILES for 2-methoxy-4-oxo-N-(2-sulfanylethyl)pentanamide is COC(CC(C)=O)C(=O)NCCS.
What is the InChIKey of 2-methoxy-4-oxo-N-(2-sulfanylethyl)pentanamide?
The InChIKey is JZNDTOWBGRKQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-6(10)5-7(12-2)8(11)9-3-4-13/h7,13H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 2-methoxy-4-oxo-N-(2-sulfanylethyl)pentanamide?
2-methoxy-4-oxo-N-(2-sulfanylethyl)pentanamide has a molecular weight of 205.28 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-oxo-N-(2-sulfanylethyl)pentanamide is sourced from PubChem (CID 130471925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).