3-(3-aminopropylsulfamoyl)propanoic acid

C6H14N2O4S — CID 61458741

IUPAC3-(3-aminopropylsulfamoyl)propanoic acid
SMILESNCCCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C6H14N2O4S/c7-3-1-4-8-13(11,12)5-2-6(9)10/h8H,1-5,7H2,(H,9,10)
InChIKeyZWBOZWIIYDGZBV-UHFFFAOYSA-N
MW210.25 g/mol
LogP-1.27
Rot. Bonds7

About 3-(3-aminopropylsulfamoyl)propanoic acid

3-(3-aminopropylsulfamoyl)propanoic acid (PubChem CID 61458741) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-(3-aminopropylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(3-aminopropylsulfamoyl)propanoic acid
PubChem CID61458741
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name3-(3-aminopropylsulfamoyl)propanoic acid
SMILESNCCCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C6H14N2O4S/c7-3-1-4-8-13(11,12)5-2-6(9)10/h8H,1-5,7H2,(H,9,10)
InChIKeyZWBOZWIIYDGZBV-UHFFFAOYSA-N
XLogP-1.27
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.27
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylsulfamoyl)propanoic acid?
The IUPAC name of 3-(3-aminopropylsulfamoyl)propanoic acid (CID 61458741) is 3-(3-aminopropylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(3-aminopropylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(3-aminopropylsulfamoyl)propanoic acid is NCCCNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(3-aminopropylsulfamoyl)propanoic acid?
The InChIKey is ZWBOZWIIYDGZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c7-3-1-4-8-13(11,12)5-2-6(9)10/h8H,1-5,7H2,(H,9,10).
What are the key properties of 3-(3-aminopropylsulfamoyl)propanoic acid?
3-(3-aminopropylsulfamoyl)propanoic acid has a molecular weight of 210.25 g/mol, XLogP of -1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylsulfamoyl)propanoic acid is sourced from PubChem (CID 61458741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).