[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone

C20H25NO2S — CID 25449567

IUPAC[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
SMILESCCc1ccc(CN2CCC[C@H](C(=O)c3ccccc3SC)C2)o1
InChIInChI=1S/C20H25NO2S/c1-3-16-10-11-17(23-16)14-21-12-6-7-15(13-21)20(22)18-8-4-5-9-19(18)24-2/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3/t15-/m0/s1
InChIKeyANLRGQGKOZSEMF-HNNXBMFYSA-N
MW343.49 g/mol
LogP4.66
Rot. Bonds6

About [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone

[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone (PubChem CID 25449567) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
PubChem CID25449567
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
SMILESCCc1ccc(CN2CCC[C@H](C(=O)c3ccccc3SC)C2)o1
InChIInChI=1S/C20H25NO2S/c1-3-16-10-11-17(23-16)14-21-12-6-7-15(13-21)20(22)18-8-4-5-9-19(18)24-2/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3/t15-/m0/s1
InChIKeyANLRGQGKOZSEMF-HNNXBMFYSA-N
XLogP4.66
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 45188405
[(3R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 26406741
[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 25381246
[(3R)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 42122412
N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide
CID 124852169
(3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 25291677
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 45226774
cycloheptyl-(2-methylsulfanylphenyl)methanone
CID 115794815
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 25368531
N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 45183967
(3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 42363244

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone?
The IUPAC name of [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone (CID 25449567) is [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone is CCc1ccc(CN2CCC[C@H](C(=O)c3ccccc3SC)C2)o1.
What is the InChIKey of [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone?
The InChIKey is ANLRGQGKOZSEMF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-3-16-10-11-17(23-16)14-21-12-6-7-15(13-21)20(22)18-8-4-5-9-19(18)24-2/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3/t15-/m0/s1.
What are the key properties of [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone?
[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone has a molecular weight of 343.49 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 25449567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).