4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide

C9H18N2O2S — CID 130791969

IUPAC4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CN(C2CNC2)CC(C)S1(=O)=O
InChIInChI=1S/C9H18N2O2S/c1-7-5-11(9-3-10-4-9)6-8(2)14(7,12)13/h7-10H,3-6H2,1-2H3
InChIKeyQGKAGLBIGOAOQA-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.53
Rot. Bonds1

About 4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide

4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 130791969) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide
PubChem CID130791969
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CN(C2CNC2)CC(C)S1(=O)=O
InChIInChI=1S/C9H18N2O2S/c1-7-5-11(9-3-10-4-9)6-8(2)14(7,12)13/h7-10H,3-6H2,1-2H3
InChIKeyQGKAGLBIGOAOQA-UHFFFAOYSA-N
XLogP-0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-3-yl)pyrrolidine-3,4-diol
CID 106674356
1-(azetidin-3-yl)-3-methoxyazetidine
CID 89434796
(3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol
CID 130802727
2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide
CID 79588814
1-(azetidin-3-yl)-4-methylpiperazine
CID 20659800
3-(3,4-dimethylpyrrolidin-1-yl)-5-methylpiperidine
CID 115373534
3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane
CID 138958511
4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide
CID 130725335
3-(3,7-dimethyl-1,5-diazocan-1-yl)thiane 1,1-dioxide
CID 63924763
[1-(azetidin-3-yl)azetidin-3-yl]carbamic acid
CID 154997538
(1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 130654042
3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 66203857

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide (CID 130791969) is 4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide is CC1CN(C2CNC2)CC(C)S1(=O)=O.
What is the InChIKey of 4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is QGKAGLBIGOAOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7-5-11(9-3-10-4-9)6-8(2)14(7,12)13/h7-10H,3-6H2,1-2H3.
What are the key properties of 4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide?
4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of -0.53, 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)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 130791969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).