4,4-dimethyl-6-sulfamoylhexanoic acid

C8H17NO4S — CID 10609142

IUPAC4,4-dimethyl-6-sulfamoylhexanoic acid
SMILESCC(C)(CCC(=O)O)CCS(N)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-8(2,4-3-7(10)11)5-6-14(9,12)13/h3-6H2,1-2H3,(H,10,11)(H2,9,12,13)
InChIKeyJWJKKFXGHKURHM-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.56
Rot. Bonds6

About 4,4-dimethyl-6-sulfamoylhexanoic acid

4,4-dimethyl-6-sulfamoylhexanoic acid (PubChem CID 10609142) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 4,4-dimethyl-6-sulfamoylhexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-sulfamoylhexanoic acid
PubChem CID10609142
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name4,4-dimethyl-6-sulfamoylhexanoic acid
SMILESCC(C)(CCC(=O)O)CCS(N)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-8(2,4-3-7(10)11)5-6-14(9,12)13/h3-6H2,1-2H3,(H,10,11)(H2,9,12,13)
InChIKeyJWJKKFXGHKURHM-UHFFFAOYSA-N
XLogP0.56
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid
CID 114385391
4,4-dimethylhexanoic acid
CID 12563914
6-amino-4,4,6-trimethylheptanoic acid
CID 137482851
4,4,14,14-tetramethyl-9-oxoheptadecanedioic acid
CID 10109732
4-amino-4-methylpentanoic acid
CID 158438218
4,4-dimethyl-6-oxoheptanoic acid
CID 15559932
6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid
CID 65287286
4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid
CID 158020559
8-bromo-4,4-dimethyloctanoic acid
CID 176602791
6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid
CID 65284819
4,4-dimethyl-6-[(2-methyl-2-methylsulfonylpropanoyl)amino]hexanoic acid
CID 65284262
8-(7-carboxy-5,5-dimethylheptyl)sulfanyl-4,4-dimethyloctanoic acid
CID 59984690

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-sulfamoylhexanoic acid?
The IUPAC name of 4,4-dimethyl-6-sulfamoylhexanoic acid (CID 10609142) is 4,4-dimethyl-6-sulfamoylhexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-sulfamoylhexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-sulfamoylhexanoic acid is CC(C)(CCC(=O)O)CCS(N)(=O)=O.
What is the InChIKey of 4,4-dimethyl-6-sulfamoylhexanoic acid?
The InChIKey is JWJKKFXGHKURHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-8(2,4-3-7(10)11)5-6-14(9,12)13/h3-6H2,1-2H3,(H,10,11)(H2,9,12,13).
What are the key properties of 4,4-dimethyl-6-sulfamoylhexanoic acid?
4,4-dimethyl-6-sulfamoylhexanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-sulfamoylhexanoic acid is sourced from PubChem (CID 10609142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).