3-(2-methoxyethylsulfamoylamino)hexanoic acid

C9H20N2O5S — CID 114814835

IUPAC3-(2-methoxyethylsulfamoylamino)hexanoic acid
SMILESCCCC(CC(=O)O)NS(=O)(=O)NCCOC
InChIInChI=1S/C9H20N2O5S/c1-3-4-8(7-9(12)13)11-17(14,15)10-5-6-16-2/h8,10-11H,3-7H2,1-2H3,(H,12,13)
InChIKeyNUMLOIRNUJHXRM-UHFFFAOYSA-N
MW268.33 g/mol
LogP-0.30
Rot. Bonds10

About 3-(2-methoxyethylsulfamoylamino)hexanoic acid

3-(2-methoxyethylsulfamoylamino)hexanoic acid (PubChem CID 114814835) has the molecular formula C9H20N2O5S and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoylamino)hexanoic acid.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoylamino)hexanoic acid
PubChem CID114814835
Molecular FormulaC9H20N2O5S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Name3-(2-methoxyethylsulfamoylamino)hexanoic acid
SMILESCCCC(CC(=O)O)NS(=O)(=O)NCCOC
InChIInChI=1S/C9H20N2O5S/c1-3-4-8(7-9(12)13)11-17(14,15)10-5-6-16-2/h8,10-11H,3-7H2,1-2H3,(H,12,13)
InChIKeyNUMLOIRNUJHXRM-UHFFFAOYSA-N
XLogP-0.30
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-methoxyethylsulfamoylamino)hexanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
CID 107564844
3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid
CID 114814837
4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid
CID 114814766
3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid
CID 114462997
3-(2-methoxyethylsulfamoylamino)pentanethioamide
CID 114815267
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid
CID 82951881
3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
CID 106353414
2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol
CID 114815733
3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid
CID 83068407
N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine
CID 114816692
(2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid
CID 104977912

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoylamino)hexanoic acid?
The IUPAC name of 3-(2-methoxyethylsulfamoylamino)hexanoic acid (CID 114814835) is 3-(2-methoxyethylsulfamoylamino)hexanoic acid.
What is the SMILES notation for 3-(2-methoxyethylsulfamoylamino)hexanoic acid?
The canonical SMILES for 3-(2-methoxyethylsulfamoylamino)hexanoic acid is CCCC(CC(=O)O)NS(=O)(=O)NCCOC.
What is the InChIKey of 3-(2-methoxyethylsulfamoylamino)hexanoic acid?
The InChIKey is NUMLOIRNUJHXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5S/c1-3-4-8(7-9(12)13)11-17(14,15)10-5-6-16-2/h8,10-11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-(2-methoxyethylsulfamoylamino)hexanoic acid?
3-(2-methoxyethylsulfamoylamino)hexanoic acid has a molecular weight of 268.33 g/mol, XLogP of -0.30, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoylamino)hexanoic acid is sourced from PubChem (CID 114814835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).