1-methylsulfonyl-3-(methylsulfonylmethyl)azetidine

C6H13NO4S2 — CID 66972476

IUPAC1-methylsulfonyl-3-(methylsulfonylmethyl)azetidine
SMILESCS(=O)(=O)CC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C6H13NO4S2/c1-12(8,9)5-6-3-7(4-6)13(2,10)11/h6H,3-5H2,1-2H3
InChIKeyDWLXGXSOUGPLKP-UHFFFAOYSA-N
MW227.31 g/mol
LogP-1.08
Rot. Bonds3

About 1-methylsulfonyl-3-(methylsulfonylmethyl)azetidine

1-methylsulfonyl-3-(methylsulfonylmethyl)azetidine (PubChem CID 66972476) has the molecular formula C6H13NO4S2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-methylsulfonyl-3-(methylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name1-methylsulfonyl-3-(methylsulfonylmethyl)azetidine
PubChem CID66972476
Molecular FormulaC6H13NO4S2
Molecular Weight227.31 g/mol
Exact Mass227.03
IUPAC Name1-methylsulfonyl-3-(methylsulfonylmethyl)azetidine
SMILESCS(=O)(=O)CC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C6H13NO4S2/c1-12(8,9)5-6-3-7(4-6)13(2,10)11/h6H,3-5H2,1-2H3
InChIKeyDWLXGXSOUGPLKP-UHFFFAOYSA-N
XLogP-1.08
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-(methylsulfonylmethyl)azetidine?
The IUPAC name of 1-methylsulfonyl-3-(methylsulfonylmethyl)azetidine (CID 66972476) is 1-methylsulfonyl-3-(methylsulfonylmethyl)azetidine.
What is the SMILES notation for 1-methylsulfonyl-3-(methylsulfonylmethyl)azetidine?
The canonical SMILES for 1-methylsulfonyl-3-(methylsulfonylmethyl)azetidine is CS(=O)(=O)CC1CN(S(C)(=O)=O)C1.
What is the InChIKey of 1-methylsulfonyl-3-(methylsulfonylmethyl)azetidine?
The InChIKey is DWLXGXSOUGPLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S2/c1-12(8,9)5-6-3-7(4-6)13(2,10)11/h6H,3-5H2,1-2H3.
What are the key properties of 1-methylsulfonyl-3-(methylsulfonylmethyl)azetidine?
1-methylsulfonyl-3-(methylsulfonylmethyl)azetidine has a molecular weight of 227.31 g/mol, XLogP of -1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-(methylsulfonylmethyl)azetidine is sourced from PubChem (CID 66972476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).