1-cyclopropyl-3-(methylsulfonylmethyl)azetidine

C8H15NO2S — CID 69332686

IUPAC1-cyclopropyl-3-(methylsulfonylmethyl)azetidine
SMILESCS(=O)(=O)CC1CN(C2CC2)C1
InChIInChI=1S/C8H15NO2S/c1-12(10,11)6-7-4-9(5-7)8-2-3-8/h7-8H,2-6H2,1H3
InChIKeyANBNCNVBSRZFOE-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.13
Rot. Bonds3

About 1-cyclopropyl-3-(methylsulfonylmethyl)azetidine

1-cyclopropyl-3-(methylsulfonylmethyl)azetidine (PubChem CID 69332686) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-(methylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name1-cyclopropyl-3-(methylsulfonylmethyl)azetidine
PubChem CID69332686
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name1-cyclopropyl-3-(methylsulfonylmethyl)azetidine
SMILESCS(=O)(=O)CC1CN(C2CC2)C1
InChIInChI=1S/C8H15NO2S/c1-12(10,11)6-7-4-9(5-7)8-2-3-8/h7-8H,2-6H2,1H3
InChIKeyANBNCNVBSRZFOE-UHFFFAOYSA-N
XLogP0.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(methylsulfonylmethyl)azetidine?
The IUPAC name of 1-cyclopropyl-3-(methylsulfonylmethyl)azetidine (CID 69332686) is 1-cyclopropyl-3-(methylsulfonylmethyl)azetidine.
What is the SMILES notation for 1-cyclopropyl-3-(methylsulfonylmethyl)azetidine?
The canonical SMILES for 1-cyclopropyl-3-(methylsulfonylmethyl)azetidine is CS(=O)(=O)CC1CN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(methylsulfonylmethyl)azetidine?
The InChIKey is ANBNCNVBSRZFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-12(10,11)6-7-4-9(5-7)8-2-3-8/h7-8H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-3-(methylsulfonylmethyl)azetidine?
1-cyclopropyl-3-(methylsulfonylmethyl)azetidine has a molecular weight of 189.28 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(methylsulfonylmethyl)azetidine is sourced from PubChem (CID 69332686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).