4-(azetidin-3-yl)-1,4-thiazinane 1-oxide

C7H14N2OS — CID 62783701

IUPAC4-(azetidin-3-yl)-1,4-thiazinane 1-oxide
SMILESO=S1CCN(C2CNC2)CC1
InChIInChI=1S/C7H14N2OS/c10-11-3-1-9(2-4-11)7-5-8-6-7/h7-8H,1-6H2
InChIKeyLRHDYUDJUZPQSD-UHFFFAOYSA-N
MW174.27 g/mol
LogP-0.98
Rot. Bonds1

About 4-(azetidin-3-yl)-1,4-thiazinane 1-oxide

4-(azetidin-3-yl)-1,4-thiazinane 1-oxide (PubChem CID 62783701) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(azetidin-3-yl)-1,4-thiazinane 1-oxide
PubChem CID62783701
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name4-(azetidin-3-yl)-1,4-thiazinane 1-oxide
SMILESO=S1CCN(C2CNC2)CC1
InChIInChI=1S/C7H14N2OS/c10-11-3-1-9(2-4-11)7-5-8-6-7/h7-8H,1-6H2
InChIKeyLRHDYUDJUZPQSD-UHFFFAOYSA-N
XLogP-0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(azetidin-3-yl)-1,4-thiazinane 1-oxide (CID 62783701) is 4-(azetidin-3-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(azetidin-3-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(azetidin-3-yl)-1,4-thiazinane 1-oxide is O=S1CCN(C2CNC2)CC1.
What is the InChIKey of 4-(azetidin-3-yl)-1,4-thiazinane 1-oxide?
The InChIKey is LRHDYUDJUZPQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c10-11-3-1-9(2-4-11)7-5-8-6-7/h7-8H,1-6H2.
What are the key properties of 4-(azetidin-3-yl)-1,4-thiazinane 1-oxide?
4-(azetidin-3-yl)-1,4-thiazinane 1-oxide has a molecular weight of 174.27 g/mol, XLogP of -0.98, 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)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 62783701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).