4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid

C10H22N2O4S — CID 114385391

IUPAC4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid
SMILESCC(C)(CCNCCS(N)(=O)=O)CCC(=O)O
InChIInChI=1S/C10H22N2O4S/c1-10(2,4-3-9(13)14)5-6-12-7-8-17(11,15)16/h12H,3-8H2,1-2H3,(H,13,14)(H2,11,15,16)
InChIKeyGRLPSGGFPIPVFV-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.15
Rot. Bonds9

About 4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid

4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid (PubChem CID 114385391) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid
PubChem CID114385391
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid
SMILESCC(C)(CCNCCS(N)(=O)=O)CCC(=O)O
InChIInChI=1S/C10H22N2O4S/c1-10(2,4-3-9(13)14)5-6-12-7-8-17(11,15)16/h12H,3-8H2,1-2H3,(H,13,14)(H2,11,15,16)
InChIKeyGRLPSGGFPIPVFV-UHFFFAOYSA-N
XLogP0.15
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-6-sulfamoylhexanoic acid
CID 10609142
6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid
CID 65287286
4-(2-sulfamoylethylamino)butanoic acid
CID 114385317
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
6-(but-3-ynylamino)-4,4-dimethylhexanoic acid
CID 65287661
6-[[3-(ethylamino)-3-oxopropyl]amino]-4,4-dimethylhexanoic acid
CID 65287716
4,4-dimethyl-6-(nonylamino)hexanoic acid
CID 65287173
6-(decylamino)-4,4-dimethylhexanoic acid
CID 65289065
6-(3-chloroprop-2-enylamino)-4,4-dimethylhexanoic acid
CID 77064599
4-methyl-6-(2-sulfamoylethylamino)hexanoic acid
CID 114385390
4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid
CID 65289166
6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid
CID 65284819

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid (CID 114385391) is 4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid is CC(C)(CCNCCS(N)(=O)=O)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid?
The InChIKey is GRLPSGGFPIPVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-10(2,4-3-9(13)14)5-6-12-7-8-17(11,15)16/h12H,3-8H2,1-2H3,(H,13,14)(H2,11,15,16).
What are the key properties of 4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid?
4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.15, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid is sourced from PubChem (CID 114385391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).