5-(dimethylsulfamoyl)pentanoic acid

C7H15NO4S — CID 28704891

IUPAC5-(dimethylsulfamoyl)pentanoic acid
SMILESCN(C)S(=O)(=O)CCCCC(=O)O
InChIInChI=1S/C7H15NO4S/c1-8(2)13(11,12)6-4-3-5-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKeySJWPKGOBIOZSFL-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.13
Rot. Bonds6

About 5-(dimethylsulfamoyl)pentanoic acid

5-(dimethylsulfamoyl)pentanoic acid (PubChem CID 28704891) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)pentanoic acid.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)pentanoic acid
PubChem CID28704891
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name5-(dimethylsulfamoyl)pentanoic acid
SMILESCN(C)S(=O)(=O)CCCCC(=O)O
InChIInChI=1S/C7H15NO4S/c1-8(2)13(11,12)6-4-3-5-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKeySJWPKGOBIOZSFL-UHFFFAOYSA-N
XLogP0.13
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Dimethylsulfamoyl)propanoic acid
CID 28773888
2-Sulfamoylpentanoic acid
CID 21241989
1-Hydroxy-1-oxopentane-3-sulfonate
CID 20727818
5-Sulfamoylpentanoic acid
CID 57172024
2-(Dimethylsulfamoyl)propanoic acid
CID 61454534
5-(N-Methylsulfamoyl)pentanoic acid
CID 86667511
Ethane;1-hydroxy-1-oxopentane-3-sulfonate
CID 90957388
4-(Dimethylsulfamoyl)-3-methylbutanoic acid
CID 123459344
5-(Aziridin-1-ylsulfonyl)pentanoic acid
CID 130470335
5-(Dimethylaminooxy)-5-oxopentane-1-sulfonic acid
CID 174474422
4-Sulfamoylpentanoic acid
CID 174502246
4-(Dimethylsulfamoyl)butanoic acid
CID 28773890

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)pentanoic acid?
The IUPAC name of 5-(dimethylsulfamoyl)pentanoic acid (CID 28704891) is 5-(dimethylsulfamoyl)pentanoic acid.
What is the SMILES notation for 5-(dimethylsulfamoyl)pentanoic acid?
The canonical SMILES for 5-(dimethylsulfamoyl)pentanoic acid is CN(C)S(=O)(=O)CCCCC(=O)O.
What is the InChIKey of 5-(dimethylsulfamoyl)pentanoic acid?
The InChIKey is SJWPKGOBIOZSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-8(2)13(11,12)6-4-3-5-7(9)10/h3-6H2,1-2H3,(H,9,10).
What are the key properties of 5-(dimethylsulfamoyl)pentanoic acid?
5-(dimethylsulfamoyl)pentanoic acid has a molecular weight of 209.27 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)pentanoic acid is sourced from PubChem (CID 28704891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).