1-sulfamoylazetidine-3-carboxylic acid

C4H8N2O4S — CID 114958899

IUPAC1-sulfamoylazetidine-3-carboxylic acid
SMILESNS(=O)(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C4H8N2O4S/c5-11(9,10)6-1-3(2-6)4(7)8/h3H,1-2H2,(H,7,8)(H2,5,9,10)
InChIKeyPPGITWUVHJXSLS-UHFFFAOYSA-N
MW180.18 g/mol
LogP-1.79
Rot. Bonds2

About 1-sulfamoylazetidine-3-carboxylic acid

1-sulfamoylazetidine-3-carboxylic acid (PubChem CID 114958899) has the molecular formula C4H8N2O4S and a molecular weight of 180.18 g/mol. Its IUPAC name is 1-sulfamoylazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-sulfamoylazetidine-3-carboxylic acid
PubChem CID114958899
Molecular FormulaC4H8N2O4S
Molecular Weight180.18 g/mol
Exact Mass180.02
IUPAC Name1-sulfamoylazetidine-3-carboxylic acid
SMILESNS(=O)(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C4H8N2O4S/c5-11(9,10)6-1-3(2-6)4(7)8/h3H,1-2H2,(H,7,8)(H2,5,9,10)
InChIKeyPPGITWUVHJXSLS-UHFFFAOYSA-N
XLogP-1.79
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonylazetidine-3-carboxylic acid
CID 21747783
1-(Fluorosulfonyl)azetidine-3-carboxylic acid
CID 138991423
1-(2,2,2-Trifluoroethylsulfamoyl)azetidine-3-carboxylic acid
CID 114806245
1-(Dimethylsulfamoyl)azetidine-3-carboxylic acid
CID 21076143
3-Carboxyazetidine-1-sulfinate
CID 118114290
1-Sulfanylazetidine-3-carboxylic acid
CID 144567286
3-[Dimethylsulfamoyl(methyl)amino]-2-methylpropanoic acid
CID 61599253
1-(Dipropylsulfamoyl)azetidine-3-carboxylic acid
CID 64259092
1-[Butyl(methyl)sulfamoyl]azetidine-3-carboxylic acid
CID 64259093
1-[Methyl(propan-2-yl)sulfamoyl]azetidine-3-carboxylic acid
CID 64259100
1-Pyrrolidin-1-ylsulfonylazetidine-3-carboxylic acid
CID 64260469
1-(Diethylsulfamoyl)azetidine-3-carboxylic acid
CID 64260477

Frequently Asked Questions

What is the IUPAC name of 1-sulfamoylazetidine-3-carboxylic acid?
The IUPAC name of 1-sulfamoylazetidine-3-carboxylic acid (CID 114958899) is 1-sulfamoylazetidine-3-carboxylic acid.
What is the SMILES notation for 1-sulfamoylazetidine-3-carboxylic acid?
The canonical SMILES for 1-sulfamoylazetidine-3-carboxylic acid is NS(=O)(=O)N1CC(C(=O)O)C1.
What is the InChIKey of 1-sulfamoylazetidine-3-carboxylic acid?
The InChIKey is PPGITWUVHJXSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O4S/c5-11(9,10)6-1-3(2-6)4(7)8/h3H,1-2H2,(H,7,8)(H2,5,9,10).
What are the key properties of 1-sulfamoylazetidine-3-carboxylic acid?
1-sulfamoylazetidine-3-carboxylic acid has a molecular weight of 180.18 g/mol, XLogP of -1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfamoylazetidine-3-carboxylic acid is sourced from PubChem (CID 114958899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).