bis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone

C13H24N2O5S2 — CID 177313224

IUPACbis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone
SMILESCC1(CS(C)(=O)=O)CN(C(=O)N2CC(C)(CS(C)(=O)=O)C2)C1
InChIInChI=1S/C13H24N2O5S2/c1-12(9-21(3,17)18)5-14(6-12)11(16)15-7-13(2,8-15)10-22(4,19)20/h5-10H2,1-4H3
InChIKeyQPJIYDAGCZTDLS-UHFFFAOYSA-N
MW352.48 g/mol
LogP-0.16
Rot. Bonds4

About bis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone

bis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone (PubChem CID 177313224) has the molecular formula C13H24N2O5S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is bis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Namebis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone
PubChem CID177313224
Molecular FormulaC13H24N2O5S2
Molecular Weight352.48 g/mol
Exact Mass352.11
IUPAC Namebis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone
SMILESCC1(CS(C)(=O)=O)CN(C(=O)N2CC(C)(CS(C)(=O)=O)C2)C1
InChIInChI=1S/C13H24N2O5S2/c1-12(9-21(3,17)18)5-14(6-12)11(16)15-7-13(2,8-15)10-22(4,19)20/h5-10H2,1-4H3
InChIKeyQPJIYDAGCZTDLS-UHFFFAOYSA-N
XLogP-0.16
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone?
The IUPAC name of bis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone (CID 177313224) is bis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone.
What is the SMILES notation for bis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone?
The canonical SMILES for bis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone is CC1(CS(C)(=O)=O)CN(C(=O)N2CC(C)(CS(C)(=O)=O)C2)C1.
What is the InChIKey of bis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone?
The InChIKey is QPJIYDAGCZTDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S2/c1-12(9-21(3,17)18)5-14(6-12)11(16)15-7-13(2,8-15)10-22(4,19)20/h5-10H2,1-4H3.
What are the key properties of bis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone?
bis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone has a molecular weight of 352.48 g/mol, XLogP of -0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 177313224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).