2-(nonylsulfamoyl)propanoic acid

C12H25NO4S — CID 20634432

IUPAC2-(nonylsulfamoyl)propanoic acid
SMILESCCCCCCCCCNS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C12H25NO4S/c1-3-4-5-6-7-8-9-10-13-18(16,17)11(2)12(14)15/h11,13H,3-10H2,1-2H3,(H,14,15)
InChIKeyOPNXQRXBLBKEPU-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.13
Rot. Bonds11

About 2-(nonylsulfamoyl)propanoic acid

2-(nonylsulfamoyl)propanoic acid (PubChem CID 20634432) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(nonylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(nonylsulfamoyl)propanoic acid
PubChem CID20634432
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name2-(nonylsulfamoyl)propanoic acid
SMILESCCCCCCCCCNS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C12H25NO4S/c1-3-4-5-6-7-8-9-10-13-18(16,17)11(2)12(14)15/h11,13H,3-10H2,1-2H3,(H,14,15)
InChIKeyOPNXQRXBLBKEPU-UHFFFAOYSA-N
XLogP2.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(nonylsulfamoyl)propanoic acid?
The IUPAC name of 2-(nonylsulfamoyl)propanoic acid (CID 20634432) is 2-(nonylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(nonylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(nonylsulfamoyl)propanoic acid is CCCCCCCCCNS(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-(nonylsulfamoyl)propanoic acid?
The InChIKey is OPNXQRXBLBKEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-3-4-5-6-7-8-9-10-13-18(16,17)11(2)12(14)15/h11,13H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 2-(nonylsulfamoyl)propanoic acid?
2-(nonylsulfamoyl)propanoic acid has a molecular weight of 279.40 g/mol, XLogP of 2.13, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nonylsulfamoyl)propanoic acid is sourced from PubChem (CID 20634432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).