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

C7H13NO6S2 — CID 82839170

IUPAC2-[1-(methylsulfonylmethylsulfonyl)azetidin-3-yl]acetic acid
SMILESCS(=O)(=O)CS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C7H13NO6S2/c1-15(11,12)5-16(13,14)8-3-6(4-8)2-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyUIMLGAHVKQLLQW-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.28
Rot. Bonds5

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

2-[1-(methylsulfonylmethylsulfonyl)azetidin-3-yl]acetic acid (PubChem CID 82839170) has the molecular formula C7H13NO6S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[1-(methylsulfonylmethylsulfonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(methylsulfonylmethylsulfonyl)azetidin-3-yl]acetic acid
PubChem CID82839170
Molecular FormulaC7H13NO6S2
Molecular Weight271.32 g/mol
Exact Mass271.02
IUPAC Name2-[1-(methylsulfonylmethylsulfonyl)azetidin-3-yl]acetic acid
SMILESCS(=O)(=O)CS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C7H13NO6S2/c1-15(11,12)5-16(13,14)8-3-6(4-8)2-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyUIMLGAHVKQLLQW-UHFFFAOYSA-N
XLogP-1.28
TPSA108.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(methylsulfonylmethylsulfonyl)azetidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(Difluoromethylsulfonyl)azetidin-3-yl]acetic acid
CID 64617430
2-[1-(Difluoromethylsulfonyl)azetidin-3-yl]propanoic acid
CID 116681780
2-Methyl-4-[methyl(methylsulfonyl)amino]butanoic acid
CID 145290806
2-(1-Tert-butylsulfonylazetidin-3-yl)acetic acid
CID 64616611
2-(1-Butylsulfonylazetidin-3-yl)acetic acid
CID 64616823
2-(1-Ethylsulfonylazetidin-3-yl)acetic acid
CID 64617015
2-[1-(3-Methylbutylsulfonyl)azetidin-3-yl]acetic acid
CID 64617019
2-(1-Propylsulfonylazetidin-3-yl)acetic acid
CID 64617227
2-[1-(Dimethylsulfamoyl)azetidin-3-yl]acetic acid
CID 64617435
2-(1-Propan-2-ylsulfonylazetidin-3-yl)acetic acid
CID 64617446
2-[1-(2-Methylpropylsulfonyl)azetidin-3-yl]acetic acid
CID 64617640
2-[1-(2-Methylsulfonylethylsulfonyl)azetidin-3-yl]acetic acid
CID 64617830

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylsulfonylmethylsulfonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(methylsulfonylmethylsulfonyl)azetidin-3-yl]acetic acid (CID 82839170) is 2-[1-(methylsulfonylmethylsulfonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(methylsulfonylmethylsulfonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(methylsulfonylmethylsulfonyl)azetidin-3-yl]acetic acid is CS(=O)(=O)CS(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(methylsulfonylmethylsulfonyl)azetidin-3-yl]acetic acid?
The InChIKey is UIMLGAHVKQLLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO6S2/c1-15(11,12)5-16(13,14)8-3-6(4-8)2-7(9)10/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-[1-(methylsulfonylmethylsulfonyl)azetidin-3-yl]acetic acid?
2-[1-(methylsulfonylmethylsulfonyl)azetidin-3-yl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of -1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylsulfonylmethylsulfonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 82839170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).