2-(propan-2-ylsulfamoyl)propanoic acid

C6H13NO4S — CID 61454214

IUPAC2-(propan-2-ylsulfamoyl)propanoic acid
SMILESCC(C)NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-4(2)7-12(10,11)5(3)6(8)9/h4-5,7H,1-3H3,(H,8,9)
InChIKeyZCHPNKZZEXRDFT-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.21
Rot. Bonds4

About 2-(propan-2-ylsulfamoyl)propanoic acid

2-(propan-2-ylsulfamoyl)propanoic acid (PubChem CID 61454214) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(propan-2-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(propan-2-ylsulfamoyl)propanoic acid
PubChem CID61454214
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name2-(propan-2-ylsulfamoyl)propanoic acid
SMILESCC(C)NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-4(2)7-12(10,11)5(3)6(8)9/h4-5,7H,1-3H3,(H,8,9)
InChIKeyZCHPNKZZEXRDFT-UHFFFAOYSA-N
XLogP-0.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 2-(propan-2-ylsulfamoyl)propanoic acid?
The IUPAC name of 2-(propan-2-ylsulfamoyl)propanoic acid (CID 61454214) is 2-(propan-2-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(propan-2-ylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(propan-2-ylsulfamoyl)propanoic acid is CC(C)NS(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-(propan-2-ylsulfamoyl)propanoic acid?
The InChIKey is ZCHPNKZZEXRDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-4(2)7-12(10,11)5(3)6(8)9/h4-5,7H,1-3H3,(H,8,9).
What are the key properties of 2-(propan-2-ylsulfamoyl)propanoic acid?
2-(propan-2-ylsulfamoyl)propanoic acid has a molecular weight of 195.24 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 61454214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).