4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide

C8H16N2OS — CID 130725335

IUPAC4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide
SMILESCC1CN(C2CNC2)CCS1=O
InChIInChI=1S/C8H16N2OS/c1-7-6-10(2-3-12(7)11)8-4-9-5-8/h7-9H,2-6H2,1H3
InChIKeyHMQXBJGQESYSDU-UHFFFAOYSA-N
MW188.30 g/mol
LogP-0.59
Rot. Bonds1

About 4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide

4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide (PubChem CID 130725335) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide
PubChem CID130725335
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide
SMILESCC1CN(C2CNC2)CCS1=O
InChIInChI=1S/C8H16N2OS/c1-7-6-10(2-3-12(7)11)8-4-9-5-8/h7-9H,2-6H2,1H3
InChIKeyHMQXBJGQESYSDU-UHFFFAOYSA-N
XLogP-0.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide
CID 130891121
(3R,4R)-4-(2-methyl-1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol;hydrochloride
CID 131182973
4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide
CID 130791969
4-(azetidin-3-yl)-1-methylpiperazine-2-carbaldehyde
CID 174732061
1-(azetidin-3-yl)pyrrolidin-3-ol
CID 55278856
1-(azetidin-3-yl)-4-methylpiperazine
CID 20659800
ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 144967260
4-(azetidin-3-yl)-1-methyl-1-oxidopiperazin-1-ium
CID 174984005
1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride
CID 75464903
1-(azetidin-3-yl)-3-(methoxymethyl)pyrrolidine
CID 64599135
[1-(azetidin-3-yl)piperidine-4-carbonyl]azanide;ethane;tungsten
CID 154680933
(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 129416087

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide (CID 130725335) is 4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide is CC1CN(C2CNC2)CCS1=O.
What is the InChIKey of 4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide?
The InChIKey is HMQXBJGQESYSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-7-6-10(2-3-12(7)11)8-4-9-5-8/h7-9H,2-6H2,1H3.
What are the key properties of 4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide?
4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide has a molecular weight of 188.30 g/mol, XLogP of -0.59, 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)-2-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 130725335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).