6-(methanesulfonamido)hexanoate

C7H14NO4S- — CID 7129550

IUPAC6-(methanesulfonamido)hexanoate
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)/p-1
InChIKeyRHOYQYXRAGCBLG-UHFFFAOYSA-M
MW208.26 g/mol
LogP-1.15
Rot. Bonds7

About 6-(methanesulfonamido)hexanoate

6-(methanesulfonamido)hexanoate (PubChem CID 7129550) has the molecular formula C7H14NO4S- and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-(methanesulfonamido)hexanoate.

Molecular Properties

Compound Name6-(methanesulfonamido)hexanoate
PubChem CID7129550
Molecular FormulaC7H14NO4S-
Molecular Weight208.26 g/mol
Exact Mass208.06
IUPAC Name6-(methanesulfonamido)hexanoate
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)/p-1
InChIKeyRHOYQYXRAGCBLG-UHFFFAOYSA-M
XLogP-1.15
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(methanesulfonamido)hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(methanesulfonamido)hexanoate?
The IUPAC name of 6-(methanesulfonamido)hexanoate (CID 7129550) is 6-(methanesulfonamido)hexanoate.
What is the SMILES notation for 6-(methanesulfonamido)hexanoate?
The canonical SMILES for 6-(methanesulfonamido)hexanoate is CS(=O)(=O)NCCCCCC(=O)[O-].
What is the InChIKey of 6-(methanesulfonamido)hexanoate?
The InChIKey is RHOYQYXRAGCBLG-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 6-(methanesulfonamido)hexanoate?
6-(methanesulfonamido)hexanoate has a molecular weight of 208.26 g/mol, XLogP of -1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methanesulfonamido)hexanoate is sourced from PubChem (CID 7129550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).