4-(dimethylaminosulfamoyl)butanoic acid

C6H14N2O4S — CID 83004977

IUPAC4-(dimethylaminosulfamoyl)butanoic acid
SMILESCN(C)NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C6H14N2O4S/c1-8(2)7-13(11,12)5-3-4-6(9)10/h7H,3-5H2,1-2H3,(H,9,10)
InChIKeyHTYHOONVJQPNKI-UHFFFAOYSA-N
MW210.25 g/mol
LogP-0.75
Rot. Bonds6

About 4-(dimethylaminosulfamoyl)butanoic acid

4-(dimethylaminosulfamoyl)butanoic acid (PubChem CID 83004977) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-(dimethylaminosulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(dimethylaminosulfamoyl)butanoic acid
PubChem CID83004977
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name4-(dimethylaminosulfamoyl)butanoic acid
SMILESCN(C)NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C6H14N2O4S/c1-8(2)7-13(11,12)5-3-4-6(9)10/h7H,3-5H2,1-2H3,(H,9,10)
InChIKeyHTYHOONVJQPNKI-UHFFFAOYSA-N
XLogP-0.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylaminosulfamoyl)butanoic acid?
The IUPAC name of 4-(dimethylaminosulfamoyl)butanoic acid (CID 83004977) is 4-(dimethylaminosulfamoyl)butanoic acid.
What is the SMILES notation for 4-(dimethylaminosulfamoyl)butanoic acid?
The canonical SMILES for 4-(dimethylaminosulfamoyl)butanoic acid is CN(C)NS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-(dimethylaminosulfamoyl)butanoic acid?
The InChIKey is HTYHOONVJQPNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-8(2)7-13(11,12)5-3-4-6(9)10/h7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 4-(dimethylaminosulfamoyl)butanoic acid?
4-(dimethylaminosulfamoyl)butanoic acid has a molecular weight of 210.25 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylaminosulfamoyl)butanoic acid is sourced from PubChem (CID 83004977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).