5-ethylsulfanyl-2-hydroxypentanamide

C7H15NO2S — CID 141016967

IUPAC5-ethylsulfanyl-2-hydroxypentanamide
SMILESCCSCCCC(O)C(N)=O
InChIInChI=1S/C7H15NO2S/c1-2-11-5-3-4-6(9)7(8)10/h6,9H,2-5H2,1H3,(H2,8,10)
InChIKeyPTQYLCPUUYTVHY-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.37
Rot. Bonds6

About 5-ethylsulfanyl-2-hydroxypentanamide

5-ethylsulfanyl-2-hydroxypentanamide (PubChem CID 141016967) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 5-ethylsulfanyl-2-hydroxypentanamide.

Molecular Properties

Compound Name5-ethylsulfanyl-2-hydroxypentanamide
PubChem CID141016967
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name5-ethylsulfanyl-2-hydroxypentanamide
SMILESCCSCCCC(O)C(N)=O
InChIInChI=1S/C7H15NO2S/c1-2-11-5-3-4-6(9)7(8)10/h6,9H,2-5H2,1H3,(H2,8,10)
InChIKeyPTQYLCPUUYTVHY-UHFFFAOYSA-N
XLogP0.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethylsulfanyl-2-hydroxypentanoic acid
CID 87148073
2-hydroxyoctadecanamide
CID 14598043
2-hydroxy-5-propylsulfanylpentanoic acid
CID 88537858
(2S,5R)-2,5-bis(3-ethylsulfanylpropyl)hexanedioic acid
CID 92532678
6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one
CID 103343956
2-hydroxy-6-oxohexanamide
CID 175466908
2-hydroxybutanamide;hydrochloride
CID 87384831
2-amino-4-butylsulfanylbutanamide
CID 63034099
2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid
CID 116504445
2-(2-ethylsulfanylethyl)propanedioic acid
CID 87754532
3-(3-ethylsulfanylpropylamino)propanamide
CID 104586816
bis(2-aminoacetic acid);(2S)-2-amino-4-ethylsulfanylbutanoic acid
CID 87886710

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-2-hydroxypentanamide?
The IUPAC name of 5-ethylsulfanyl-2-hydroxypentanamide (CID 141016967) is 5-ethylsulfanyl-2-hydroxypentanamide.
What is the SMILES notation for 5-ethylsulfanyl-2-hydroxypentanamide?
The canonical SMILES for 5-ethylsulfanyl-2-hydroxypentanamide is CCSCCCC(O)C(N)=O.
What is the InChIKey of 5-ethylsulfanyl-2-hydroxypentanamide?
The InChIKey is PTQYLCPUUYTVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-2-11-5-3-4-6(9)7(8)10/h6,9H,2-5H2,1H3,(H2,8,10).
What are the key properties of 5-ethylsulfanyl-2-hydroxypentanamide?
5-ethylsulfanyl-2-hydroxypentanamide has a molecular weight of 177.27 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-2-hydroxypentanamide is sourced from PubChem (CID 141016967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).