5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one

C11H23NO4S — CID 116593760

IUPAC5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one
SMILESCCS(=O)(=O)CCCC(=O)C(N)CCCOC
InChIInChI=1S/C11H23NO4S/c1-3-17(14,15)9-5-7-11(13)10(12)6-4-8-16-2/h10H,3-9,12H2,1-2H3
InChIKeyLIERNTPQUIPJIS-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.52
Rot. Bonds10

About 5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one

5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one (PubChem CID 116593760) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one.

Molecular Properties

Compound Name5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one
PubChem CID116593760
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one
SMILESCCS(=O)(=O)CCCC(=O)C(N)CCCOC
InChIInChI=1S/C11H23NO4S/c1-3-17(14,15)9-5-7-11(13)10(12)6-4-8-16-2/h10H,3-9,12H2,1-2H3
InChIKeyLIERNTPQUIPJIS-UHFFFAOYSA-N
XLogP0.52
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1,6-dimethoxyhexan-2-one
CID 116593700
2-amino-N-ethylsulfonyl-5-methoxypentanamide
CID 103307121
[2-(5-amino-9-methoxy-6-oxononyl)hydrazinyl]azanium
CID 159835574
2-amino-5-methoxypentanoic acid
CID 18361135
4-amino-1-methoxy-7-methyldecan-5-one
CID 116593750
2-amino-1-hydroxy-6-methoxyhexan-3-one;methane
CID 162214807
5-amino-8-methoxy-2-methyloct-1-en-4-one
CID 116593842
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one
CID 81082869
2-amino-N-ethyl-5-methoxy-N-propan-2-ylpentanamide
CID 81081261
4-amino-7-methoxyhept-1-en-3-one
CID 116593727

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one?
The IUPAC name of 5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one (CID 116593760) is 5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one.
What is the SMILES notation for 5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one?
The canonical SMILES for 5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one is CCS(=O)(=O)CCCC(=O)C(N)CCCOC.
What is the InChIKey of 5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one?
The InChIKey is LIERNTPQUIPJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-3-17(14,15)9-5-7-11(13)10(12)6-4-8-16-2/h10H,3-9,12H2,1-2H3.
What are the key properties of 5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one?
5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one has a molecular weight of 265.37 g/mol, XLogP of 0.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one is sourced from PubChem (CID 116593760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).