[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone

C18H19NO3S — CID 25368531

IUPAC[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C18H19NO3S/c1-23-16-7-3-2-6-15(16)17(20)13-5-4-9-19(11-13)18(21)14-8-10-22-12-14/h2-3,6-8,10,12-13H,4-5,9,11H2,1H3/t13-/m0/s1
InChIKeyJVKBESDUZPVYBG-ZDUSSCGKSA-N
MW329.42 g/mol
LogP3.74
Rot. Bonds4

About [(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone

[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone (PubChem CID 25368531) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is [(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
PubChem CID25368531
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C18H19NO3S/c1-23-16-7-3-2-6-15(16)17(20)13-5-4-9-19(11-13)18(21)14-8-10-22-12-14/h2-3,6-8,10,12-13H,4-5,9,11H2,1H3/t13-/m0/s1
InChIKeyJVKBESDUZPVYBG-ZDUSSCGKSA-N
XLogP3.74
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 45203079
(2-methylsulfanylphenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 45200802
(3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 25291677
1-(2-methylsulfanylbenzoyl)piperidine-3-carbothioamide
CID 79215136
1-(furan-3-carbonyl)-N,N-dimethylpiperidine-3-carboxamide
CID 42891354
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
cycloheptyl-(2-methylsulfanylphenyl)methanone
CID 115794815
N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 45183967
(3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 42363244
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone
CID 35552494
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 45226774

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone?
The IUPAC name of [(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone (CID 25368531) is [(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for [(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for [(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of [(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone?
The InChIKey is JVKBESDUZPVYBG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-23-16-7-3-2-6-15(16)17(20)13-5-4-9-19(11-13)18(21)14-8-10-22-12-14/h2-3,6-8,10,12-13H,4-5,9,11H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone?
[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone has a molecular weight of 329.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 25368531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).