1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone

C14H21NO2S — CID 2374328

IUPAC1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone
SMILESCC[C@@H]1CCCCN1C(=O)CSCc1ccco1
InChIInChI=1S/C14H21NO2S/c1-2-12-6-3-4-8-15(12)14(16)11-18-10-13-7-5-9-17-13/h5,7,9,12H,2-4,6,8,10-11H2,1H3/t12-/m1/s1
InChIKeyDFFABEQNBKUSDP-GFCCVEGCSA-N
MW267.39 g/mol
LogP3.30
Rot. Bonds5

About 1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone

1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone (PubChem CID 2374328) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone
PubChem CID2374328
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone
SMILESCC[C@@H]1CCCCN1C(=O)CSCc1ccco1
InChIInChI=1S/C14H21NO2S/c1-2-12-6-3-4-8-15(12)14(16)11-18-10-13-7-5-9-17-13/h5,7,9,12H,2-4,6,8,10-11H2,1H3/t12-/m1/s1
InChIKeyDFFABEQNBKUSDP-GFCCVEGCSA-N
XLogP3.30
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide
CID 113161044
1-[2-(bromomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80659467
1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42891834
ethyl 1-[2-(furan-2-ylmethylsulfanyl)acetyl]piperidine-4-carboxylate
CID 2414801
1-[2-(2-bromoethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80665660
3-(furan-2-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 79030540
1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 51916299
[4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 108990325
2-[(2R)-2-ethylpiperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 94775933
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
4-(2-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109085186
2-(4-aminophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 43299054

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone?
The IUPAC name of 1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone (CID 2374328) is 1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone.
What is the SMILES notation for 1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone?
The canonical SMILES for 1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone is CC[C@@H]1CCCCN1C(=O)CSCc1ccco1.
What is the InChIKey of 1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone?
The InChIKey is DFFABEQNBKUSDP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-12-6-3-4-8-15(12)14(16)11-18-10-13-7-5-9-17-13/h5,7,9,12H,2-4,6,8,10-11H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone?
1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone has a molecular weight of 267.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone is sourced from PubChem (CID 2374328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).