1-(propylsulfamoyl)azetidine-3-carboxylic acid

C7H14N2O4S — CID 114806243

IUPAC1-(propylsulfamoyl)azetidine-3-carboxylic acid
SMILESCCCNS(=O)(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C7H14N2O4S/c1-2-3-8-14(12,13)9-4-6(5-9)7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyKPKOSEVOCZWOFH-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.75
Rot. Bonds5

About 1-(propylsulfamoyl)azetidine-3-carboxylic acid

1-(propylsulfamoyl)azetidine-3-carboxylic acid (PubChem CID 114806243) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-(propylsulfamoyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(propylsulfamoyl)azetidine-3-carboxylic acid
PubChem CID114806243
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name1-(propylsulfamoyl)azetidine-3-carboxylic acid
SMILESCCCNS(=O)(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C7H14N2O4S/c1-2-3-8-14(12,13)9-4-6(5-9)7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyKPKOSEVOCZWOFH-UHFFFAOYSA-N
XLogP-0.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Sulfamoylazetidine-3-carboxylic acid
CID 114958899
1-(2,2,2-Trifluoroethylsulfamoyl)azetidine-3-carboxylic acid
CID 114806245
3-{[(Dimethylamino)sulfonyl]amino}propanoic acid
CID 3435571
1-(Dimethylsulfamoyl)azetidine-3-carboxylic acid
CID 21076143
Azane;azetidine-3-carboxylic acid
CID 66877154
Acetic acid;azetidine-3-carboxylic acid
CID 67169222
3-[Bis(2-methylpropyl)sulfamoylamino]propanoic acid
CID 87891188
Azetidine-3-carboxylic acid;ethane
CID 90706179
3-(Dipropylsulfamoylamino)-2-methylpropanoic acid
CID 55105020
3-[[Butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid
CID 62674301
3-(Dimethylsulfamoylamino)-2-methylpropanoic acid
CID 62675161
3-(Diethylsulfamoylamino)-2-methylpropanoic acid
CID 62675349

Frequently Asked Questions

What is the IUPAC name of 1-(propylsulfamoyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(propylsulfamoyl)azetidine-3-carboxylic acid (CID 114806243) is 1-(propylsulfamoyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(propylsulfamoyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(propylsulfamoyl)azetidine-3-carboxylic acid is CCCNS(=O)(=O)N1CC(C(=O)O)C1.
What is the InChIKey of 1-(propylsulfamoyl)azetidine-3-carboxylic acid?
The InChIKey is KPKOSEVOCZWOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-2-3-8-14(12,13)9-4-6(5-9)7(10)11/h6,8H,2-5H2,1H3,(H,10,11).
What are the key properties of 1-(propylsulfamoyl)azetidine-3-carboxylic acid?
1-(propylsulfamoyl)azetidine-3-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylsulfamoyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 114806243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).