[5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone

C12H17NO2S — CID 60634727

IUPAC[5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone
SMILESCSCc1ccc(C(=O)N2CCCCC2)o1
InChIInChI=1S/C12H17NO2S/c1-16-9-10-5-6-11(15-10)12(14)13-7-3-2-4-8-13/h5-6H,2-4,7-9H2,1H3
InChIKeyJHHKDFHMBPMYPX-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.77
Rot. Bonds3

About [5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone

[5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone (PubChem CID 60634727) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is [5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone
PubChem CID60634727
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name[5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone
SMILESCSCc1ccc(C(=O)N2CCCCC2)o1
InChIInChI=1S/C12H17NO2S/c1-16-9-10-5-6-11(15-10)12(14)13-7-3-2-4-8-13/h5-6H,2-4,7-9H2,1H3
InChIKeyJHHKDFHMBPMYPX-UHFFFAOYSA-N
XLogP2.77
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(methylsulfanylmethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 118773727
1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 43355781
[4-(2-hydroxyethyl)piperazin-1-yl]-[5-(methylsulfanylmethyl)furan-2-yl]methanone
CID 43416265
ethyl (3S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylate
CID 81338389
3-methyl-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 63133883
[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 45248371
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(methylsulfanylmethyl)furan-2-yl]methanone
CID 2530805
[5-(methylsulfanylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 118783397
(2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid
CID 66264410
(5R)-7-methyl-2-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25481006
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-[5-(methylsulfanylmethyl)furan-2-yl]methanone
CID 81096046
[2-(furan-2-yl)azepan-1-yl]-[5-(methylsulfanylmethyl)furan-2-yl]methanone
CID 70706464

Frequently Asked Questions

What is the IUPAC name of [5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone (CID 60634727) is [5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone is CSCc1ccc(C(=O)N2CCCCC2)o1.
What is the InChIKey of [5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone?
The InChIKey is JHHKDFHMBPMYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-16-9-10-5-6-11(15-10)12(14)13-7-3-2-4-8-13/h5-6H,2-4,7-9H2,1H3.
What are the key properties of [5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone?
[5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone has a molecular weight of 239.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 60634727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).