2-(oxolan-2-ylmethylsulfanylmethyl)piperidine

C11H21NOS — CID 106495458

IUPAC2-(oxolan-2-ylmethylsulfanylmethyl)piperidine
SMILESC1CCC(CSCC2CCCO2)NC1
InChIInChI=1S/C11H21NOS/c1-2-6-12-10(4-1)8-14-9-11-5-3-7-13-11/h10-12H,1-9H2
InChIKeyUOROFCICBRMEIW-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.04
Rot. Bonds4

About 2-(oxolan-2-ylmethylsulfanylmethyl)piperidine

2-(oxolan-2-ylmethylsulfanylmethyl)piperidine (PubChem CID 106495458) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfanylmethyl)piperidine
PubChem CID106495458
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-(oxolan-2-ylmethylsulfanylmethyl)piperidine
SMILESC1CCC(CSCC2CCCO2)NC1
InChIInChI=1S/C11H21NOS/c1-2-6-12-10(4-1)8-14-9-11-5-3-7-13-11/h10-12H,1-9H2
InChIKeyUOROFCICBRMEIW-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
2-[2-(oxolan-2-yl)ethyl]azepane
CID 65165343
2-[3-(oxolan-2-yl)propyl]azepane
CID 65165342
2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513465
2-[2-[2-(oxolan-2-yl)ethoxy]ethyl]piperidine
CID 65163156
2-(oxan-2-ylmethoxymethyl)piperidine
CID 24705678
3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine
CID 106495448
2-[2-(oxolan-2-ylmethoxy)ethyl]piperidine
CID 43149956
1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine
CID 114240339
N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 114240359
N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine
CID 62214311
(2R)-2-(ethylsulfanylmethyl)oxane
CID 154221143

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfanylmethyl)piperidine?
The IUPAC name of 2-(oxolan-2-ylmethylsulfanylmethyl)piperidine (CID 106495458) is 2-(oxolan-2-ylmethylsulfanylmethyl)piperidine.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfanylmethyl)piperidine?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfanylmethyl)piperidine is C1CCC(CSCC2CCCO2)NC1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfanylmethyl)piperidine?
The InChIKey is UOROFCICBRMEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-2-6-12-10(4-1)8-14-9-11-5-3-7-13-11/h10-12H,1-9H2.
What are the key properties of 2-(oxolan-2-ylmethylsulfanylmethyl)piperidine?
2-(oxolan-2-ylmethylsulfanylmethyl)piperidine has a molecular weight of 215.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfanylmethyl)piperidine is sourced from PubChem (CID 106495458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).