4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid

C8H16N2O4S — CID 66186641

IUPAC4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid
SMILESCN(C1CNC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H16N2O4S/c1-10(7-5-9-6-7)15(13,14)4-2-3-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyVUNWPAJEVLFHND-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.92
Rot. Bonds6

About 4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid

4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid (PubChem CID 66186641) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid
PubChem CID66186641
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid
SMILESCN(C1CNC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H16N2O4S/c1-10(7-5-9-6-7)15(13,14)4-2-3-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyVUNWPAJEVLFHND-UHFFFAOYSA-N
XLogP-0.92
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(piperidin-4-yl)sulfamoyl]butanoic acid
CID 61403398
methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate
CID 66185019
4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid
CID 63638842
3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid
CID 61403399
4-[2-adamantyl(methyl)sulfamoyl]butanoic acid
CID 60950357
methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate
CID 54952012
4-[cyclopentyl(ethyl)sulfamoyl]butanoic acid
CID 43541031
4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid
CID 62862361
3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid
CID 82731745
4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid
CID 63954719
methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate
CID 61460515
N-(dimethylsulfamoyl)-N-methylazetidin-3-amine
CID 66188277

Frequently Asked Questions

What is the IUPAC name of 4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid (CID 66186641) is 4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid is CN(C1CNC1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid?
The InChIKey is VUNWPAJEVLFHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-10(7-5-9-6-7)15(13,14)4-2-3-8(11)12/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid?
4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid has a molecular weight of 236.29 g/mol, XLogP of -0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 66186641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).