[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

C20H23NO3S2 — CID 42567720

IUPAC[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
SMILESCOCc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)s1
InChIInChI=1S/C20H23NO3S2/c1-24-13-17-9-10-18(26-17)20(23)21-11-3-4-15(12-21)19(22)14-5-7-16(25-2)8-6-14/h5-10,15H,3-4,11-13H2,1-2H3/t15-/m1/s1
InChIKeyQSIYSSOIUSUWDL-OAHLLOKOSA-N
MW389.54 g/mol
LogP4.35
Rot. Bonds6

About [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone (PubChem CID 42567720) has the molecular formula C20H23NO3S2 and a molecular weight of 389.54 g/mol. Its IUPAC name is [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
PubChem CID42567720
Molecular FormulaC20H23NO3S2
Molecular Weight389.54 g/mol
Exact Mass389.11
IUPAC Name[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
SMILESCOCc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)s1
InChIInChI=1S/C20H23NO3S2/c1-24-13-17-9-10-18(26-17)20(23)21-11-3-4-15(12-21)19(22)14-5-7-16(25-2)8-6-14/h5-10,15H,3-4,11-13H2,1-2H3/t15-/m1/s1
InChIKeyQSIYSSOIUSUWDL-OAHLLOKOSA-N
XLogP4.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone with MolForge

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Related Compounds

[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 26319479
[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 24793132
(4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone
CID 45219229
[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 69455246
1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 43355865
1-[6-hydroxy-4-[5-(methoxymethyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 74241719
ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 43409448
N-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 45190370
(3S)-N-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 42214526
2-[2-[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97275991
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224288
[1-[(Z)-but-2-en-2-yl]pyrrolidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 145439896

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone (CID 42567720) is [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone is COCc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)s1.
What is the InChIKey of [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is QSIYSSOIUSUWDL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23NO3S2/c1-24-13-17-9-10-18(26-17)20(23)21-11-3-4-15(12-21)19(22)14-5-7-16(25-2)8-6-14/h5-10,15H,3-4,11-13H2,1-2H3/t15-/m1/s1.
What are the key properties of [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone?
[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 389.54 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 42567720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).