2-[3-(diethylamino)propylsulfamoyl]acetic acid

C9H20N2O4S — CID 28773686

IUPAC2-[3-(diethylamino)propylsulfamoyl]acetic acid
SMILESCCN(CC)CCCNS(=O)(=O)CC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-3-11(4-2)7-5-6-10-16(14,15)8-9(12)13/h10H,3-8H2,1-2H3,(H,12,13)
InChIKeyAXXQHTPFITZBOC-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.28
Rot. Bonds9

About 2-[3-(diethylamino)propylsulfamoyl]acetic acid

2-[3-(diethylamino)propylsulfamoyl]acetic acid (PubChem CID 28773686) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[3-(diethylamino)propylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[3-(diethylamino)propylsulfamoyl]acetic acid
PubChem CID28773686
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-[3-(diethylamino)propylsulfamoyl]acetic acid
SMILESCCN(CC)CCCNS(=O)(=O)CC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-3-11(4-2)7-5-6-10-16(14,15)8-9(12)13/h10H,3-8H2,1-2H3,(H,12,13)
InChIKeyAXXQHTPFITZBOC-UHFFFAOYSA-N
XLogP-0.28
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
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 2-[3-(diethylamino)propylsulfamoyl]acetic acid?
The IUPAC name of 2-[3-(diethylamino)propylsulfamoyl]acetic acid (CID 28773686) is 2-[3-(diethylamino)propylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[3-(diethylamino)propylsulfamoyl]acetic acid?
The canonical SMILES for 2-[3-(diethylamino)propylsulfamoyl]acetic acid is CCN(CC)CCCNS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[3-(diethylamino)propylsulfamoyl]acetic acid?
The InChIKey is AXXQHTPFITZBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-3-11(4-2)7-5-6-10-16(14,15)8-9(12)13/h10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-[3-(diethylamino)propylsulfamoyl]acetic acid?
2-[3-(diethylamino)propylsulfamoyl]acetic acid has a molecular weight of 252.34 g/mol, XLogP of -0.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propylsulfamoyl]acetic acid is sourced from PubChem (CID 28773686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).