1-cyclopropyl-3-methylsulfonylazetidine

C7H13NO2S — CID 139502472

IUPAC1-cyclopropyl-3-methylsulfonylazetidine
SMILESCS(=O)(=O)C1CN(C2CC2)C1
InChIInChI=1S/C7H13NO2S/c1-11(9,10)7-4-8(5-7)6-2-3-6/h6-7H,2-5H2,1H3
InChIKeyUAEFFLYRNHOSJQ-UHFFFAOYSA-N
MW175.25 g/mol
LogP-0.12
Rot. Bonds2

About 1-cyclopropyl-3-methylsulfonylazetidine

1-cyclopropyl-3-methylsulfonylazetidine (PubChem CID 139502472) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-methylsulfonylazetidine.

Molecular Properties

Compound Name1-cyclopropyl-3-methylsulfonylazetidine
PubChem CID139502472
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name1-cyclopropyl-3-methylsulfonylazetidine
SMILESCS(=O)(=O)C1CN(C2CC2)C1
InChIInChI=1S/C7H13NO2S/c1-11(9,10)7-4-8(5-7)6-2-3-6/h6-7H,2-5H2,1H3
InChIKeyUAEFFLYRNHOSJQ-UHFFFAOYSA-N
XLogP-0.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methylsulfonylazetidine?
The IUPAC name of 1-cyclopropyl-3-methylsulfonylazetidine (CID 139502472) is 1-cyclopropyl-3-methylsulfonylazetidine.
What is the SMILES notation for 1-cyclopropyl-3-methylsulfonylazetidine?
The canonical SMILES for 1-cyclopropyl-3-methylsulfonylazetidine is CS(=O)(=O)C1CN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-methylsulfonylazetidine?
The InChIKey is UAEFFLYRNHOSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-11(9,10)7-4-8(5-7)6-2-3-6/h6-7H,2-5H2,1H3.
What are the key properties of 1-cyclopropyl-3-methylsulfonylazetidine?
1-cyclopropyl-3-methylsulfonylazetidine has a molecular weight of 175.25 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methylsulfonylazetidine is sourced from PubChem (CID 139502472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).