6-(methanesulfonamido)hexanoic acid

C7H15NO4S — CID 3125359

IUPAC6-(methanesulfonamido)hexanoic acid
SMILESCS(=O)(=O)NCCCCCC(=O)O
InChIInChI=1S/C7H15NO4S/c1-13(11,12)8-6-4-2-3-5-7(9)10/h8H,2-6H2,1H3,(H,9,10)
InChIKeyRHOYQYXRAGCBLG-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.18
Rot. Bonds7

About 6-(methanesulfonamido)hexanoic acid

6-(methanesulfonamido)hexanoic acid (PubChem CID 3125359) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 6-(methanesulfonamido)hexanoic acid.

Molecular Properties

Compound Name6-(methanesulfonamido)hexanoic acid
PubChem CID3125359
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name6-(methanesulfonamido)hexanoic acid
SMILESCS(=O)(=O)NCCCCCC(=O)O
InChIInChI=1S/C7H15NO4S/c1-13(11,12)8-6-4-2-3-5-7(9)10/h8H,2-6H2,1H3,(H,9,10)
InChIKeyRHOYQYXRAGCBLG-UHFFFAOYSA-N
XLogP0.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.18
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-(methanesulfonamido)hexanoic acid?
The IUPAC name of 6-(methanesulfonamido)hexanoic acid (CID 3125359) is 6-(methanesulfonamido)hexanoic acid.
What is the SMILES notation for 6-(methanesulfonamido)hexanoic acid?
The canonical SMILES for 6-(methanesulfonamido)hexanoic acid is CS(=O)(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-(methanesulfonamido)hexanoic acid?
The InChIKey is RHOYQYXRAGCBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-13(11,12)8-6-4-2-3-5-7(9)10/h8H,2-6H2,1H3,(H,9,10).
What are the key properties of 6-(methanesulfonamido)hexanoic acid?
6-(methanesulfonamido)hexanoic acid has a molecular weight of 209.27 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methanesulfonamido)hexanoic acid is sourced from PubChem (CID 3125359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).