6-(ethylsulfonylamino)hexanoic acid

C8H17NO4S — CID 16781337

IUPAC6-(ethylsulfonylamino)hexanoic acid
SMILESCCS(=O)(=O)NCCCCCC(=O)O
InChIInChI=1S/C8H17NO4S/c1-2-14(12,13)9-7-5-3-4-6-8(10)11/h9H,2-7H2,1H3,(H,10,11)
InChIKeyLSNRLIKJOJLXHX-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.57
Rot. Bonds8

About 6-(ethylsulfonylamino)hexanoic acid

6-(ethylsulfonylamino)hexanoic acid (PubChem CID 16781337) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 6-(ethylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(ethylsulfonylamino)hexanoic acid
PubChem CID16781337
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name6-(ethylsulfonylamino)hexanoic acid
SMILESCCS(=O)(=O)NCCCCCC(=O)O
InChIInChI=1S/C8H17NO4S/c1-2-14(12,13)9-7-5-3-4-6-8(10)11/h9H,2-7H2,1H3,(H,10,11)
InChIKeyLSNRLIKJOJLXHX-UHFFFAOYSA-N
XLogP0.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.57
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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Frequently Asked Questions

What is the IUPAC name of 6-(ethylsulfonylamino)hexanoic acid?
The IUPAC name of 6-(ethylsulfonylamino)hexanoic acid (CID 16781337) is 6-(ethylsulfonylamino)hexanoic acid.
What is the SMILES notation for 6-(ethylsulfonylamino)hexanoic acid?
The canonical SMILES for 6-(ethylsulfonylamino)hexanoic acid is CCS(=O)(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-(ethylsulfonylamino)hexanoic acid?
The InChIKey is LSNRLIKJOJLXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-2-14(12,13)9-7-5-3-4-6-8(10)11/h9H,2-7H2,1H3,(H,10,11).
What are the key properties of 6-(ethylsulfonylamino)hexanoic acid?
6-(ethylsulfonylamino)hexanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylsulfonylamino)hexanoic acid is sourced from PubChem (CID 16781337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).