3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide

C10H19NO3S — CID 103985370

IUPAC3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide
SMILESCCOCC1(C2CCS(=O)(=O)C2)CNC1
InChIInChI=1S/C10H19NO3S/c1-2-14-8-10(6-11-7-10)9-3-4-15(12,13)5-9/h9,11H,2-8H2,1H3
InChIKeyWNEVEJQNOLLRRR-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.05
Rot. Bonds4

About 3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide

3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide (PubChem CID 103985370) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide
PubChem CID103985370
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide
SMILESCCOCC1(C2CCS(=O)(=O)C2)CNC1
InChIInChI=1S/C10H19NO3S/c1-2-14-8-10(6-11-7-10)9-3-4-15(12,13)5-9/h9,11H,2-8H2,1H3
InChIKeyWNEVEJQNOLLRRR-UHFFFAOYSA-N
XLogP0.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide with MolForge

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Related Compounds

3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide
CID 79451711
3-[3-(3-methoxypropyl)azetidin-3-yl]thiolane 1,1-dioxide
CID 79451088
3-[3-(3-methylsulfonylpropyl)azetidin-3-yl]thiolane 1,1-dioxide
CID 79451508
3-[3-(2-propan-2-ylsulfonylethyl)azetidin-3-yl]thiolane 1,1-dioxide
CID 106734964
3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 79451612
3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 79452321
3-[3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 79452118
3-[3-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 103019129
N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-1-amine
CID 65194993
3-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidin-3-yl]thiolane 1,1-dioxide
CID 79452117
N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine
CID 65194272
(3S)-3-ethoxythiolane 1,1-dioxide
CID 40511911

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide (CID 103985370) is 3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide is CCOCC1(C2CCS(=O)(=O)C2)CNC1.
What is the InChIKey of 3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide?
The InChIKey is WNEVEJQNOLLRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-2-14-8-10(6-11-7-10)9-3-4-15(12,13)5-9/h9,11H,2-8H2,1H3.
What are the key properties of 3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide?
3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide has a molecular weight of 233.33 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 103985370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).