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

C7H14N2O2S — CID 59751961

IUPAC4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(C2CNC2)CC1
InChIInChI=1S/C7H14N2O2S/c10-12(11)3-1-9(2-4-12)7-5-8-6-7/h7-8H,1-6H2
InChIKeyAIERFJIBCCZHKK-UHFFFAOYSA-N
MW190.27 g/mol
LogP-1.31
Rot. Bonds1

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

4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 59751961) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID59751961
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(C2CNC2)CC1
InChIInChI=1S/C7H14N2O2S/c10-12(11)3-1-9(2-4-12)7-5-8-6-7/h7-8H,1-6H2
InChIKeyAIERFJIBCCZHKK-UHFFFAOYSA-N
XLogP-1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide (CID 59751961) is 4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(C2CNC2)CC1.
What is the InChIKey of 4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is AIERFJIBCCZHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c10-12(11)3-1-9(2-4-12)7-5-8-6-7/h7-8H,1-6H2.
What are the key properties of 4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide?
4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 190.27 g/mol, XLogP of -1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 59751961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).