2-[1-(dimethylsulfamoyl)azetidin-3-yl]acetic acid

C7H14N2O4S — CID 64617435

IUPAC2-[1-(dimethylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCN(C)S(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C7H14N2O4S/c1-8(2)14(12,13)9-4-6(5-9)3-7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyZHODCCGJDGFPAG-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.80
Rot. Bonds4

About 2-[1-(dimethylsulfamoyl)azetidin-3-yl]acetic acid

2-[1-(dimethylsulfamoyl)azetidin-3-yl]acetic acid (PubChem CID 64617435) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-[1-(dimethylsulfamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(dimethylsulfamoyl)azetidin-3-yl]acetic acid
PubChem CID64617435
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name2-[1-(dimethylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCN(C)S(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C7H14N2O4S/c1-8(2)14(12,13)9-4-6(5-9)3-7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyZHODCCGJDGFPAG-UHFFFAOYSA-N
XLogP-0.80
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Methylazetidin-3-yl)acetic acid
CID 58669481
2-[1-(2,2,2-Trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806332
2-(1,1-Dimethylazetidin-1-ium-3-yl)acetic acid
CID 58463490
3-Methyl-4-(sulfonylamino)butanoic acid
CID 151399477
4-[Dimethylsulfamoyl(methyl)amino]butanoic acid
CID 39246269
2-(1-Tert-butylsulfonylazetidin-3-yl)acetic acid
CID 64616611
2-(1-Ethylsulfonylazetidin-3-yl)acetic acid
CID 64617015
2-[1-[Methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid
CID 64617023
2-(1-(Methylsulfonyl)azetidin-3-yl)acetic acid
CID 64618030
2-[1-(Diethylsulfamoyl)azetidin-3-yl]acetic acid
CID 64618429
2-(1-Pyrrolidin-1-ylsulfonylazetidin-3-yl)acetic acid
CID 64618622
2-[1-[Butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid
CID 64619012

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylsulfamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(dimethylsulfamoyl)azetidin-3-yl]acetic acid (CID 64617435) is 2-[1-(dimethylsulfamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(dimethylsulfamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(dimethylsulfamoyl)azetidin-3-yl]acetic acid is CN(C)S(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(dimethylsulfamoyl)azetidin-3-yl]acetic acid?
The InChIKey is ZHODCCGJDGFPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-8(2)14(12,13)9-4-6(5-9)3-7(10)11/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-[1-(dimethylsulfamoyl)azetidin-3-yl]acetic acid?
2-[1-(dimethylsulfamoyl)azetidin-3-yl]acetic acid has a molecular weight of 222.27 g/mol, XLogP of -0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylsulfamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).