2-(5-methylhexylsulfamoyl)propanoic acid

C10H21NO4S — CID 115325022

IUPAC2-(5-methylhexylsulfamoyl)propanoic acid
SMILESCC(C)CCCCNS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C10H21NO4S/c1-8(2)6-4-5-7-11-16(14,15)9(3)10(12)13/h8-9,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyLVKMVGAUQCDLHQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.21
Rot. Bonds8

About 2-(5-methylhexylsulfamoyl)propanoic acid

2-(5-methylhexylsulfamoyl)propanoic acid (PubChem CID 115325022) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(5-methylhexylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(5-methylhexylsulfamoyl)propanoic acid
PubChem CID115325022
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name2-(5-methylhexylsulfamoyl)propanoic acid
SMILESCC(C)CCCCNS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C10H21NO4S/c1-8(2)6-4-5-7-11-16(14,15)9(3)10(12)13/h8-9,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyLVKMVGAUQCDLHQ-UHFFFAOYSA-N
XLogP1.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.21
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-(5-methylhexylsulfamoyl)propanoic acid?
The IUPAC name of 2-(5-methylhexylsulfamoyl)propanoic acid (CID 115325022) is 2-(5-methylhexylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(5-methylhexylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(5-methylhexylsulfamoyl)propanoic acid is CC(C)CCCCNS(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-(5-methylhexylsulfamoyl)propanoic acid?
The InChIKey is LVKMVGAUQCDLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-8(2)6-4-5-7-11-16(14,15)9(3)10(12)13/h8-9,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-(5-methylhexylsulfamoyl)propanoic acid?
2-(5-methylhexylsulfamoyl)propanoic acid has a molecular weight of 251.35 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexylsulfamoyl)propanoic acid is sourced from PubChem (CID 115325022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).