8-(ethylsulfonylamino)octanoic acid

C10H21NO4S — CID 21103229

IUPAC8-(ethylsulfonylamino)octanoic acid
SMILESCCS(=O)(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C10H21NO4S/c1-2-16(14,15)11-9-7-5-3-4-6-8-10(12)13/h11H,2-9H2,1H3,(H,12,13)
InChIKeyARMWXQNVXNYDBI-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.35
Rot. Bonds10

About 8-(ethylsulfonylamino)octanoic acid

8-(ethylsulfonylamino)octanoic acid (PubChem CID 21103229) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 8-(ethylsulfonylamino)octanoic acid.

Molecular Properties

Compound Name8-(ethylsulfonylamino)octanoic acid
PubChem CID21103229
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name8-(ethylsulfonylamino)octanoic acid
SMILESCCS(=O)(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C10H21NO4S/c1-2-16(14,15)11-9-7-5-3-4-6-8-10(12)13/h11H,2-9H2,1H3,(H,12,13)
InChIKeyARMWXQNVXNYDBI-UHFFFAOYSA-N
XLogP1.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.35
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-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid
CID 161088986
7-(butylsulfonylamino)heptanoic acid
CID 24704780
6-(methylsulfonylmethylsulfonylamino)hexanoic acid
CID 82839698
11-(octylsulfonylamino)undecanoic acid
CID 4605614
7-(2-methoxyethylsulfonylamino)heptanoic acid
CID 55010122
5-(propylsulfamoylamino)pentanoic acid
CID 114806222
5-(dimethylsulfamoylamino)pentanoic acid
CID 62034311
4-(chloromethylsulfonylamino)butanoic acid
CID 63664973
6-(ethenylsulfonylamino)hexanoic acid
CID 121396494
5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 79594453
7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid
CID 54947148
10-(ethylamino)decanoic acid
CID 57308942

Frequently Asked Questions

What is the IUPAC name of 8-(ethylsulfonylamino)octanoic acid?
The IUPAC name of 8-(ethylsulfonylamino)octanoic acid (CID 21103229) is 8-(ethylsulfonylamino)octanoic acid.
What is the SMILES notation for 8-(ethylsulfonylamino)octanoic acid?
The canonical SMILES for 8-(ethylsulfonylamino)octanoic acid is CCS(=O)(=O)NCCCCCCCC(=O)O.
What is the InChIKey of 8-(ethylsulfonylamino)octanoic acid?
The InChIKey is ARMWXQNVXNYDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-2-16(14,15)11-9-7-5-3-4-6-8-10(12)13/h11H,2-9H2,1H3,(H,12,13).
What are the key properties of 8-(ethylsulfonylamino)octanoic acid?
8-(ethylsulfonylamino)octanoic acid has a molecular weight of 251.35 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethylsulfonylamino)octanoic acid is sourced from PubChem (CID 21103229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).