2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine

C11H17NOS — CID 107781623

IUPAC2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine
SMILESCc1occc1SCC1CCCCN1
InChIInChI=1S/C11H17NOS/c1-9-11(5-7-13-9)14-8-10-4-2-3-6-12-10/h5,7,10,12H,2-4,6,8H2,1H3
InChIKeyVEPYTMMSJGJWFG-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.82
Rot. Bonds3

About 2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine

2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine (PubChem CID 107781623) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine.

Molecular Properties

Compound Name2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine
PubChem CID107781623
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine
SMILESCc1occc1SCC1CCCCN1
InChIInChI=1S/C11H17NOS/c1-9-11(5-7-13-9)14-8-10-4-2-3-6-12-10/h5,7,10,12H,2-4,6,8H2,1H3
InChIKeyVEPYTMMSJGJWFG-UHFFFAOYSA-N
XLogP2.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyrrolidine
CID 107781606
(2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine
CID 102820293
2-[(4-methylphenyl)sulfanylmethyl]pyrrolidine;hydrochloride
CID 72716499
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106626695
2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine
CID 117033099
4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole
CID 106924606
3-methoxy-4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]aniline
CID 102820443
2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine
CID 114001035
2-[(8-methylfuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine
CID 115010239
(1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 97162149
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)piperidine
CID 115480065
5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine
CID 71638847

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine?
The IUPAC name of 2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine (CID 107781623) is 2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine.
What is the SMILES notation for 2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine?
The canonical SMILES for 2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine is Cc1occc1SCC1CCCCN1.
What is the InChIKey of 2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine?
The InChIKey is VEPYTMMSJGJWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-11(5-7-13-9)14-8-10-4-2-3-6-12-10/h5,7,10,12H,2-4,6,8H2,1H3.
What are the key properties of 2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine?
2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine has a molecular weight of 211.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine is sourced from PubChem (CID 107781623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).