3-(oxan-4-ylsulfamoyl)propanoic acid

C8H15NO5S — CID 43610016

IUPAC3-(oxan-4-ylsulfamoyl)propanoic acid
SMILESO=C(O)CCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C8H15NO5S/c10-8(11)3-6-15(12,13)9-7-1-4-14-5-2-7/h7,9H,1-6H2,(H,10,11)
InChIKeyLXCURNAQZHHTCY-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.44
Rot. Bonds5

About 3-(oxan-4-ylsulfamoyl)propanoic acid

3-(oxan-4-ylsulfamoyl)propanoic acid (PubChem CID 43610016) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-(oxan-4-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(oxan-4-ylsulfamoyl)propanoic acid
PubChem CID43610016
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name3-(oxan-4-ylsulfamoyl)propanoic acid
SMILESO=C(O)CCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C8H15NO5S/c10-8(11)3-6-15(12,13)9-7-1-4-14-5-2-7/h7,9H,1-6H2,(H,10,11)
InChIKeyLXCURNAQZHHTCY-UHFFFAOYSA-N
XLogP-0.44
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylsulfamoyl)propanoic acid?
The IUPAC name of 3-(oxan-4-ylsulfamoyl)propanoic acid (CID 43610016) is 3-(oxan-4-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(oxan-4-ylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(oxan-4-ylsulfamoyl)propanoic acid is O=C(O)CCS(=O)(=O)NC1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylsulfamoyl)propanoic acid?
The InChIKey is LXCURNAQZHHTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c10-8(11)3-6-15(12,13)9-7-1-4-14-5-2-7/h7,9H,1-6H2,(H,10,11).
What are the key properties of 3-(oxan-4-ylsulfamoyl)propanoic acid?
3-(oxan-4-ylsulfamoyl)propanoic acid has a molecular weight of 237.28 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 43610016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).