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

C12H23NO3S — CID 117272010

IUPAC2-[[2-(methoxymethyl)piperidin-2-yl]methyl]thiolane 1,1-dioxide
SMILESCOCC1(CC2CCCS2(=O)=O)CCCCN1
InChIInChI=1S/C12H23NO3S/c1-16-10-12(6-2-3-7-13-12)9-11-5-4-8-17(11,14)15/h11,13H,2-10H2,1H3
InChIKeyDERQHAIJHUKMIF-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.11
Rot. Bonds4

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

2-[[2-(methoxymethyl)piperidin-2-yl]methyl]thiolane 1,1-dioxide (PubChem CID 117272010) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[[2-(methoxymethyl)piperidin-2-yl]methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[[2-(methoxymethyl)piperidin-2-yl]methyl]thiolane 1,1-dioxide
PubChem CID117272010
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name2-[[2-(methoxymethyl)piperidin-2-yl]methyl]thiolane 1,1-dioxide
SMILESCOCC1(CC2CCCS2(=O)=O)CCCCN1
InChIInChI=1S/C12H23NO3S/c1-16-10-12(6-2-3-7-13-12)9-11-5-4-8-17(11,14)15/h11,13H,2-10H2,1H3
InChIKeyDERQHAIJHUKMIF-UHFFFAOYSA-N
XLogP1.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-2-(piperidin-2-ylmethyl)piperidine
CID 117272019
1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine
CID 117271883
2-(methoxymethyl)-2-(thian-2-ylmethyl)pyrrolidine
CID 117271873
[2-[(1,1-dioxothian-3-yl)methyl]piperidin-2-yl]methanol
CID 115103670
methyl 4-[(1,1-dioxothiolan-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate
CID 117270040
2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615859
3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide
CID 117271660
2-(methoxymethyl)-2-[(4-methylphenyl)methyl]piperidine
CID 117272056
2-(methoxymethyl)-2-[(2-methylphenyl)methyl]piperidine
CID 117272049
3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide
CID 117271576
[2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol
CID 115103547
N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide
CID 83073450

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methoxymethyl)piperidin-2-yl]methyl]thiolane 1,1-dioxide?
The IUPAC name of 2-[[2-(methoxymethyl)piperidin-2-yl]methyl]thiolane 1,1-dioxide (CID 117272010) is 2-[[2-(methoxymethyl)piperidin-2-yl]methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[[2-(methoxymethyl)piperidin-2-yl]methyl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[[2-(methoxymethyl)piperidin-2-yl]methyl]thiolane 1,1-dioxide is COCC1(CC2CCCS2(=O)=O)CCCCN1.
What is the InChIKey of 2-[[2-(methoxymethyl)piperidin-2-yl]methyl]thiolane 1,1-dioxide?
The InChIKey is DERQHAIJHUKMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-16-10-12(6-2-3-7-13-12)9-11-5-4-8-17(11,14)15/h11,13H,2-10H2,1H3.
What are the key properties of 2-[[2-(methoxymethyl)piperidin-2-yl]methyl]thiolane 1,1-dioxide?
2-[[2-(methoxymethyl)piperidin-2-yl]methyl]thiolane 1,1-dioxide has a molecular weight of 261.39 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methoxymethyl)piperidin-2-yl]methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 117272010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).