3-amino-5-ethylsulfanylpentan-2-one

C7H15NOS — CID 132993897

IUPAC3-amino-5-ethylsulfanylpentan-2-one
SMILESCCSCCC(N)C(C)=O
InChIInChI=1S/C7H15NOS/c1-3-10-5-4-7(8)6(2)9/h7H,3-5,8H2,1-2H3
InChIKeyGBZPGYSVSOUFMP-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.05
Rot. Bonds5

About 3-amino-5-ethylsulfanylpentan-2-one

3-amino-5-ethylsulfanylpentan-2-one (PubChem CID 132993897) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-amino-5-ethylsulfanylpentan-2-one.

Molecular Properties

Compound Name3-amino-5-ethylsulfanylpentan-2-one
PubChem CID132993897
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-amino-5-ethylsulfanylpentan-2-one
SMILESCCSCCC(N)C(C)=O
InChIInChI=1S/C7H15NOS/c1-3-10-5-4-7(8)6(2)9/h7H,3-5,8H2,1-2H3
InChIKeyGBZPGYSVSOUFMP-UHFFFAOYSA-N
XLogP1.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-(methylsulfanyl)butanethioic O-acid
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L-homocysteine thiolactone(1+)
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3-Aminothian-4-one hydrochloride
CID 146155854
3-Amino-5-methylmercapto-2-pentanone
CID 12572965
(2-Oxothiolan-3-yl)azanium
CID 46398697
CID 53445132
CID 53445132
S-[(2R)-2-amino-3-oxobutyl] ethanethioate
CID 59244153
CID 87072755
CID 87072755
CID 87755042
CID 87755042
Seleno-d-methionine
CID 129774625
(3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one
CID 143500605
(2S)-2-amino-4-ethylsulfanylbutanoyl fluoride
CID 175689387

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethylsulfanylpentan-2-one?
The IUPAC name of 3-amino-5-ethylsulfanylpentan-2-one (CID 132993897) is 3-amino-5-ethylsulfanylpentan-2-one.
What is the SMILES notation for 3-amino-5-ethylsulfanylpentan-2-one?
The canonical SMILES for 3-amino-5-ethylsulfanylpentan-2-one is CCSCCC(N)C(C)=O.
What is the InChIKey of 3-amino-5-ethylsulfanylpentan-2-one?
The InChIKey is GBZPGYSVSOUFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-3-10-5-4-7(8)6(2)9/h7H,3-5,8H2,1-2H3.
What are the key properties of 3-amino-5-ethylsulfanylpentan-2-one?
3-amino-5-ethylsulfanylpentan-2-one has a molecular weight of 161.27 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethylsulfanylpentan-2-one is sourced from PubChem (CID 132993897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).