4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid

C10H19NO4S — CID 62862361

IUPAC4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid
SMILESCN(CC1CCC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-11(8-9-4-2-5-9)16(14,15)7-3-6-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyFRLQZIIAPKULHQ-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.91
Rot. Bonds7

About 4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid

4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid (PubChem CID 62862361) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid
PubChem CID62862361
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid
SMILESCN(CC1CCC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-11(8-9-4-2-5-9)16(14,15)7-3-6-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyFRLQZIIAPKULHQ-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid (CID 62862361) is 4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid is CN(CC1CCC1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid?
The InChIKey is FRLQZIIAPKULHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-11(8-9-4-2-5-9)16(14,15)7-3-6-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid?
4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 62862361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).