4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide

C10H19NO2S — CID 163697361

IUPAC4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide
SMILESCC1CN(CC2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H19NO2S/c1-9-6-11(7-9)8-10-2-4-14(12,13)5-3-10/h9-10H,2-8H2,1H3
InChIKeyJYASKNQLRYWFHP-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.76
Rot. Bonds2

About 4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide

4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide (PubChem CID 163697361) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide
PubChem CID163697361
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide
SMILESCC1CN(CC2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H19NO2S/c1-9-6-11(7-9)8-10-2-4-14(12,13)5-3-10/h9-10H,2-8H2,1H3
InChIKeyJYASKNQLRYWFHP-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-Fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide
CID 178125547
4-[[2-(Difluoromethyl)azetidin-1-yl]methyl]thiane 1,1-dioxide
CID 137957059
N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine
CID 71861030
5-(1-Piperidyl)pentyl isopentyl sulfone
CID 18965255
3-(1-Piperidyl)propyl isopentyl sulfone
CID 18965292
4-Methyl-1-(2-methylsulfonylethyl)piperidine
CID 20752926
4-Ethyl-1-(2-methylsulfonylethyl)piperidine
CID 53930711
4-(Ethylsulfonylmethyl)-1-propan-2-ylpiperidine
CID 57709506
4-(3-Propan-2-ylazetidin-1-yl)thiane 1,1-dioxide
CID 58054364
4-(3-Propan-2-ylazetidin-1-yl)thiane 1-oxide
CID 58054366
4-Methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide
CID 58815001
1-(3-Methylbutyl)-4-methylsulfonylpiperidine
CID 59761732

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide?
The IUPAC name of 4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide (CID 163697361) is 4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide?
The canonical SMILES for 4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide is CC1CN(CC2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide?
The InChIKey is JYASKNQLRYWFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-9-6-11(7-9)8-10-2-4-14(12,13)5-3-10/h9-10H,2-8H2,1H3.
What are the key properties of 4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide?
4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide has a molecular weight of 217.33 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylazetidin-1-yl)methyl]thiane 1,1-dioxide is sourced from PubChem (CID 163697361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).