4-(azetidin-3-yl)thiane 1-oxide

C8H15NOS — CID 118544746

IUPAC4-(azetidin-3-yl)thiane 1-oxide
SMILESO=S1CCC(C2CNC2)CC1
InChIInChI=1S/C8H15NOS/c10-11-3-1-7(2-4-11)8-5-9-6-8/h7-9H,1-6H2
InChIKeyCQHOQWPRCFNHGP-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.36
Rot. Bonds1

About 4-(azetidin-3-yl)thiane 1-oxide

4-(azetidin-3-yl)thiane 1-oxide (PubChem CID 118544746) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 4-(azetidin-3-yl)thiane 1-oxide.

Molecular Properties

Compound Name4-(azetidin-3-yl)thiane 1-oxide
PubChem CID118544746
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name4-(azetidin-3-yl)thiane 1-oxide
SMILESO=S1CCC(C2CNC2)CC1
InChIInChI=1S/C8H15NOS/c10-11-3-1-7(2-4-11)8-5-9-6-8/h7-9H,1-6H2
InChIKeyCQHOQWPRCFNHGP-UHFFFAOYSA-N
XLogP0.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)thiane 1-oxide?
The IUPAC name of 4-(azetidin-3-yl)thiane 1-oxide (CID 118544746) is 4-(azetidin-3-yl)thiane 1-oxide.
What is the SMILES notation for 4-(azetidin-3-yl)thiane 1-oxide?
The canonical SMILES for 4-(azetidin-3-yl)thiane 1-oxide is O=S1CCC(C2CNC2)CC1.
What is the InChIKey of 4-(azetidin-3-yl)thiane 1-oxide?
The InChIKey is CQHOQWPRCFNHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c10-11-3-1-7(2-4-11)8-5-9-6-8/h7-9H,1-6H2.
What are the key properties of 4-(azetidin-3-yl)thiane 1-oxide?
4-(azetidin-3-yl)thiane 1-oxide has a molecular weight of 173.28 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)thiane 1-oxide is sourced from PubChem (CID 118544746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).