3-methylsulfonylazetidine-3-carboxylic acid;hydrochloride

C5H10ClNO4S — CID 155970634

IUPAC3-methylsulfonylazetidine-3-carboxylic acid;hydrochloride
SMILESCS(=O)(=O)C1(C(=O)O)CNC1.Cl
InChIInChI=1S/C5H9NO4S.ClH/c1-11(9,10)5(4(7)8)2-6-3-5;/h6H,2-3H2,1H3,(H,7,8);1H
InChIKeyVZWRYMJRRIYVRQ-UHFFFAOYSA-N
MW215.66 g/mol
LogP-1.12
Rot. Bonds2

About 3-methylsulfonylazetidine-3-carboxylic acid;hydrochloride

3-methylsulfonylazetidine-3-carboxylic acid;hydrochloride (PubChem CID 155970634) has the molecular formula C5H10ClNO4S and a molecular weight of 215.66 g/mol. Its IUPAC name is 3-methylsulfonylazetidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-methylsulfonylazetidine-3-carboxylic acid;hydrochloride
PubChem CID155970634
Molecular FormulaC5H10ClNO4S
Molecular Weight215.66 g/mol
Exact Mass215.00
IUPAC Name3-methylsulfonylazetidine-3-carboxylic acid;hydrochloride
SMILESCS(=O)(=O)C1(C(=O)O)CNC1.Cl
InChIInChI=1S/C5H9NO4S.ClH/c1-11(9,10)5(4(7)8)2-6-3-5;/h6H,2-3H2,1H3,(H,7,8);1H
InChIKeyVZWRYMJRRIYVRQ-UHFFFAOYSA-N
XLogP-1.12
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylazetidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 3-methylsulfonylazetidine-3-carboxylic acid;hydrochloride (CID 155970634) is 3-methylsulfonylazetidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-methylsulfonylazetidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 3-methylsulfonylazetidine-3-carboxylic acid;hydrochloride is CS(=O)(=O)C1(C(=O)O)CNC1.Cl.
What is the InChIKey of 3-methylsulfonylazetidine-3-carboxylic acid;hydrochloride?
The InChIKey is VZWRYMJRRIYVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4S.ClH/c1-11(9,10)5(4(7)8)2-6-3-5;/h6H,2-3H2,1H3,(H,7,8);1H.
What are the key properties of 3-methylsulfonylazetidine-3-carboxylic acid;hydrochloride?
3-methylsulfonylazetidine-3-carboxylic acid;hydrochloride has a molecular weight of 215.66 g/mol, XLogP of -1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylazetidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 155970634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).