4-(1-methylazetidin-3-yl)thiane 1,1-dioxide

C9H17NO2S — CID 167303076

IUPAC4-(1-methylazetidin-3-yl)thiane 1,1-dioxide
SMILESCN1CC(C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C9H17NO2S/c1-10-6-9(7-10)8-2-4-13(11,12)5-3-8/h8-9H,2-7H2,1H3
InChIKeyVEUZTPZSSPTWGU-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.37
Rot. Bonds1

About 4-(1-methylazetidin-3-yl)thiane 1,1-dioxide

4-(1-methylazetidin-3-yl)thiane 1,1-dioxide (PubChem CID 167303076) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 4-(1-methylazetidin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(1-methylazetidin-3-yl)thiane 1,1-dioxide
PubChem CID167303076
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name4-(1-methylazetidin-3-yl)thiane 1,1-dioxide
SMILESCN1CC(C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C9H17NO2S/c1-10-6-9(7-10)8-2-4-13(11,12)5-3-8/h8-9H,2-7H2,1H3
InChIKeyVEUZTPZSSPTWGU-UHFFFAOYSA-N
XLogP0.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylazetidin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(1-methylazetidin-3-yl)thiane 1,1-dioxide (CID 167303076) is 4-(1-methylazetidin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(1-methylazetidin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(1-methylazetidin-3-yl)thiane 1,1-dioxide is CN1CC(C2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 4-(1-methylazetidin-3-yl)thiane 1,1-dioxide?
The InChIKey is VEUZTPZSSPTWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-10-6-9(7-10)8-2-4-13(11,12)5-3-8/h8-9H,2-7H2,1H3.
What are the key properties of 4-(1-methylazetidin-3-yl)thiane 1,1-dioxide?
4-(1-methylazetidin-3-yl)thiane 1,1-dioxide has a molecular weight of 203.31 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylazetidin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 167303076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).