6-(ethenylsulfonylamino)hexanoic acid

C8H15NO4S — CID 121396494

IUPAC6-(ethenylsulfonylamino)hexanoic acid
SMILESC=CS(=O)(=O)NCCCCCC(=O)O
InChIInChI=1S/C8H15NO4S/c1-2-14(12,13)9-7-5-3-4-6-8(10)11/h2,9H,1,3-7H2,(H,10,11)
InChIKeyGHZUVXYCQXFASW-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.69
Rot. Bonds8

About 6-(ethenylsulfonylamino)hexanoic acid

6-(ethenylsulfonylamino)hexanoic acid (PubChem CID 121396494) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 6-(ethenylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(ethenylsulfonylamino)hexanoic acid
PubChem CID121396494
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name6-(ethenylsulfonylamino)hexanoic acid
SMILESC=CS(=O)(=O)NCCCCCC(=O)O
InChIInChI=1S/C8H15NO4S/c1-2-14(12,13)9-7-5-3-4-6-8(10)11/h2,9H,1,3-7H2,(H,10,11)
InChIKeyGHZUVXYCQXFASW-UHFFFAOYSA-N
XLogP0.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.69
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

8-(ethylsulfonylamino)octanoic acid
CID 21103229
6-(methylsulfonylmethylsulfonylamino)hexanoic acid
CID 82839698
buta-1,3-diene;decanedioic acid
CID 87614862
15-(prop-2-enoylamino)pentadecanoic acid
CID 71528159
decanedioic acid;prop-2-enoic acid
CID 87433899
5-(dimethylsulfamoylamino)pentanoic acid
CID 62034311
5-(propylsulfamoylamino)pentanoic acid
CID 114806222
CID 131887558
CID 131887558
7-(butylsulfonylamino)heptanoic acid
CID 24704780
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
heptakis(decanedioic acid);ethene
CID 173236204

Frequently Asked Questions

What is the IUPAC name of 6-(ethenylsulfonylamino)hexanoic acid?
The IUPAC name of 6-(ethenylsulfonylamino)hexanoic acid (CID 121396494) is 6-(ethenylsulfonylamino)hexanoic acid.
What is the SMILES notation for 6-(ethenylsulfonylamino)hexanoic acid?
The canonical SMILES for 6-(ethenylsulfonylamino)hexanoic acid is C=CS(=O)(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-(ethenylsulfonylamino)hexanoic acid?
The InChIKey is GHZUVXYCQXFASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-2-14(12,13)9-7-5-3-4-6-8(10)11/h2,9H,1,3-7H2,(H,10,11).
What are the key properties of 6-(ethenylsulfonylamino)hexanoic acid?
6-(ethenylsulfonylamino)hexanoic acid has a molecular weight of 221.28 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethenylsulfonylamino)hexanoic acid is sourced from PubChem (CID 121396494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).