3-(propylsulfamoyl)propanoic acid

C6H13NO4S — CID 28513999

IUPAC3-(propylsulfamoyl)propanoic acid
SMILESCCCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C6H13NO4S/c1-2-4-7-12(10,11)5-3-6(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKeyMBRKLDUFSRWQRA-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.21
Rot. Bonds6

About 3-(propylsulfamoyl)propanoic acid

3-(propylsulfamoyl)propanoic acid (PubChem CID 28513999) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-(propylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(propylsulfamoyl)propanoic acid
PubChem CID28513999
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name3-(propylsulfamoyl)propanoic acid
SMILESCCCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C6H13NO4S/c1-2-4-7-12(10,11)5-3-6(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKeyMBRKLDUFSRWQRA-UHFFFAOYSA-N
XLogP-0.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(propylsulfamoyl)propanoic acid?
The IUPAC name of 3-(propylsulfamoyl)propanoic acid (CID 28513999) is 3-(propylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(propylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(propylsulfamoyl)propanoic acid is CCCNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(propylsulfamoyl)propanoic acid?
The InChIKey is MBRKLDUFSRWQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-2-4-7-12(10,11)5-3-6(8)9/h7H,2-5H2,1H3,(H,8,9).
What are the key properties of 3-(propylsulfamoyl)propanoic acid?
3-(propylsulfamoyl)propanoic acid has a molecular weight of 195.24 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylsulfamoyl)propanoic acid is sourced from PubChem (CID 28513999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).