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

C8H15NO2S — CID 118188360

IUPAC4-(azetidin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(C2CNC2)CC1
InChIInChI=1S/C8H15NO2S/c10-12(11)3-1-7(2-4-12)8-5-9-6-8/h7-9H,1-6H2
InChIKeyFXYOPRTVAQHNGW-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.03
Rot. Bonds1

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

4-(azetidin-3-yl)thiane 1,1-dioxide (PubChem CID 118188360) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 4-(azetidin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(azetidin-3-yl)thiane 1,1-dioxide
PubChem CID118188360
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name4-(azetidin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(C2CNC2)CC1
InChIInChI=1S/C8H15NO2S/c10-12(11)3-1-7(2-4-12)8-5-9-6-8/h7-9H,1-6H2
InChIKeyFXYOPRTVAQHNGW-UHFFFAOYSA-N
XLogP0.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(azetidin-3-yl)thiane 1,1-dioxide 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 4-(azetidin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(azetidin-3-yl)thiane 1,1-dioxide (CID 118188360) is 4-(azetidin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(azetidin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(azetidin-3-yl)thiane 1,1-dioxide is O=S1(=O)CCC(C2CNC2)CC1.
What is the InChIKey of 4-(azetidin-3-yl)thiane 1,1-dioxide?
The InChIKey is FXYOPRTVAQHNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c10-12(11)3-1-7(2-4-12)8-5-9-6-8/h7-9H,1-6H2.
What are the key properties of 4-(azetidin-3-yl)thiane 1,1-dioxide?
4-(azetidin-3-yl)thiane 1,1-dioxide has a molecular weight of 189.28 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 118188360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).