6-sulfamoylhexanoic acid

C6H13NO4S — CID 57225123

IUPAC6-sulfamoylhexanoic acid
SMILESNS(=O)(=O)CCCCCC(=O)O
InChIInChI=1S/C6H13NO4S/c7-12(10,11)5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)(H2,7,10,11)
InChIKeyNSKZKCIYKKBCAS-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.08
Rot. Bonds6

About 6-sulfamoylhexanoic acid

6-sulfamoylhexanoic acid (PubChem CID 57225123) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 6-sulfamoylhexanoic acid.

Molecular Properties

Compound Name6-sulfamoylhexanoic acid
PubChem CID57225123
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name6-sulfamoylhexanoic acid
SMILESNS(=O)(=O)CCCCCC(=O)O
InChIInChI=1S/C6H13NO4S/c7-12(10,11)5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)(H2,7,10,11)
InChIKeyNSKZKCIYKKBCAS-UHFFFAOYSA-N
XLogP-0.08
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.08
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-sulfamoylhexanoic acid?
The IUPAC name of 6-sulfamoylhexanoic acid (CID 57225123) is 6-sulfamoylhexanoic acid.
What is the SMILES notation for 6-sulfamoylhexanoic acid?
The canonical SMILES for 6-sulfamoylhexanoic acid is NS(=O)(=O)CCCCCC(=O)O.
What is the InChIKey of 6-sulfamoylhexanoic acid?
The InChIKey is NSKZKCIYKKBCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c7-12(10,11)5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)(H2,7,10,11).
What are the key properties of 6-sulfamoylhexanoic acid?
6-sulfamoylhexanoic acid has a molecular weight of 195.24 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfamoylhexanoic acid is sourced from PubChem (CID 57225123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).