2-(methoxymethyl)-2-(thiolan-2-yl)piperidine

C11H21NOS — CID 117271997

IUPAC2-(methoxymethyl)-2-(thiolan-2-yl)piperidine
SMILESCOCC1(C2CCCS2)CCCCN1
InChIInChI=1S/C11H21NOS/c1-13-9-11(6-2-3-7-12-11)10-5-4-8-14-10/h10,12H,2-9H2,1H3
InChIKeyJQEUVDQKWXRPMD-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.04
Rot. Bonds3

About 2-(methoxymethyl)-2-(thiolan-2-yl)piperidine

2-(methoxymethyl)-2-(thiolan-2-yl)piperidine (PubChem CID 117271997) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-(thiolan-2-yl)piperidine.

Molecular Properties

Compound Name2-(methoxymethyl)-2-(thiolan-2-yl)piperidine
PubChem CID117271997
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-(methoxymethyl)-2-(thiolan-2-yl)piperidine
SMILESCOCC1(C2CCCS2)CCCCN1
InChIInChI=1S/C11H21NOS/c1-13-9-11(6-2-3-7-12-11)10-5-4-8-14-10/h10,12H,2-9H2,1H3
InChIKeyJQEUVDQKWXRPMD-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(thiolan-2-yl)pyrrolidine
CID 117270993
2-(methoxymethyl)-2-piperidin-4-ylpiperidine
CID 117271970
2-(methoxymethyl)-2-pyrrolidin-2-ylpiperidine
CID 117271998
2-methyl-2-(thian-2-yl)piperidine
CID 117271242
2-methyl-2-(thiolan-2-yl)pyrrolidine
CID 105434982
3-[2-(methoxymethyl)pyrrolidin-2-yl]piperidine
CID 117271846
4-[2-(methoxymethyl)pyrrolidin-2-yl]-1-propan-2-ylpiperidine
CID 117271828
2-(methoxymethyl)-2-(thian-2-ylmethyl)pyrrolidine
CID 117271873
methyl 2-(thian-2-yl)pyrrolidine-2-carboxylate
CID 115103266
methyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate
CID 176838382
2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine
CID 117271620
2-(methoxymethyl)-2-(piperidin-2-ylmethyl)piperidine
CID 117272019

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-(thiolan-2-yl)piperidine?
The IUPAC name of 2-(methoxymethyl)-2-(thiolan-2-yl)piperidine (CID 117271997) is 2-(methoxymethyl)-2-(thiolan-2-yl)piperidine.
What is the SMILES notation for 2-(methoxymethyl)-2-(thiolan-2-yl)piperidine?
The canonical SMILES for 2-(methoxymethyl)-2-(thiolan-2-yl)piperidine is COCC1(C2CCCS2)CCCCN1.
What is the InChIKey of 2-(methoxymethyl)-2-(thiolan-2-yl)piperidine?
The InChIKey is JQEUVDQKWXRPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-13-9-11(6-2-3-7-12-11)10-5-4-8-14-10/h10,12H,2-9H2,1H3.
What are the key properties of 2-(methoxymethyl)-2-(thiolan-2-yl)piperidine?
2-(methoxymethyl)-2-(thiolan-2-yl)piperidine has a molecular weight of 215.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-(thiolan-2-yl)piperidine is sourced from PubChem (CID 117271997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).