3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide

C11H21NO3S — CID 117258436

IUPAC3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide
SMILESCOCC1CC(C2CCS(=O)(=O)C2)CCN1
InChIInChI=1S/C11H21NO3S/c1-15-7-11-6-9(2-4-12-11)10-3-5-16(13,14)8-10/h9-12H,2-8H2,1H3
InChIKeyREZSYGLBEJXAGI-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.44
Rot. Bonds3

About 3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide

3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide (PubChem CID 117258436) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide
PubChem CID117258436
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide
SMILESCOCC1CC(C2CCS(=O)(=O)C2)CCN1
InChIInChI=1S/C11H21NO3S/c1-15-7-11-6-9(2-4-12-11)10-3-5-16(13,14)8-10/h9-12H,2-8H2,1H3
InChIKeyREZSYGLBEJXAGI-UHFFFAOYSA-N
XLogP0.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclohexyl-2-(methoxymethyl)piperidine
CID 117258650
3-(methoxymethyl)-5-methyl-1,4-thiazepane 1,1-dioxide
CID 107511171
2-(methoxymethyl)azetidine
CID 58227482
3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide
CID 107511165
bis((2S)-2-(methoxymethyl)azetidine);oxalic acid
CID 91826002
[4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol
CID 117258437
1,2,3,3a,4,6,7,7a-octahydrothiopyrano[3,4-c]pyrrole 5,5-dioxide
CID 105436279
5-(methoxymethyl)-2-methyl-1,4-thiazinane 1,1-dioxide
CID 107511162
4-[2-(methoxymethyl)piperidin-4-yl]phenol
CID 117258631
3-(methoxymethyl)-1,4-thiazepane 1-oxide
CID 107511167
4-piperidin-4-ylthiane 1,1-dioxide
CID 82614676
(2R)-2-(methoxymethyl)pyrrolidine;molecular hydrogen;propane
CID 143635962

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide (CID 117258436) is 3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide is COCC1CC(C2CCS(=O)(=O)C2)CCN1.
What is the InChIKey of 3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide?
The InChIKey is REZSYGLBEJXAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-15-7-11-6-9(2-4-12-11)10-3-5-16(13,14)8-10/h9-12H,2-8H2,1H3.
What are the key properties of 3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide?
3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide has a molecular weight of 247.36 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 117258436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).