1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one

C17H20N2O2S — CID 96517758

IUPAC1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one
SMILESCc1ccc([C@@H]2CSCCN2C(=O)CCc2cccnc2)o1
InChIInChI=1S/C17H20N2O2S/c1-13-4-6-16(21-13)15-12-22-10-9-19(15)17(20)7-5-14-3-2-8-18-11-14/h2-4,6,8,11,15H,5,7,9-10,12H2,1H3/t15-/m0/s1
InChIKeyIZAOYVBYTFDEIN-HNNXBMFYSA-N
MW316.43 g/mol
LogP3.23
Rot. Bonds4

About 1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one

1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 96517758) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID96517758
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one
SMILESCc1ccc([C@@H]2CSCCN2C(=O)CCc2cccnc2)o1
InChIInChI=1S/C17H20N2O2S/c1-13-4-6-16(21-13)15-12-22-10-9-19(15)17(20)7-5-14-3-2-8-18-11-14/h2-4,6,8,11,15H,5,7,9-10,12H2,1H3/t15-/m0/s1
InChIKeyIZAOYVBYTFDEIN-HNNXBMFYSA-N
XLogP3.23
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one with MolForge

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Related Compounds

1-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-2-(2-nitrophenyl)ethanone
CID 96568702
2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone
CID 96517769
N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 96568744
1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 81478715
3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine
CID 124742750
1-[2-(4-fluorophenyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70715895
4-(2-pyridin-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 82900776
1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 43356028
4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 114421990
1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 115270965
1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175652588
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 124958227

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one (CID 96517758) is 1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one is Cc1ccc([C@@H]2CSCCN2C(=O)CCc2cccnc2)o1.
What is the InChIKey of 1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is IZAOYVBYTFDEIN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13-4-6-16(21-13)15-12-22-10-9-19(15)17(20)7-5-14-3-2-8-18-11-14/h2-4,6,8,11,15H,5,7,9-10,12H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 316.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 96517758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).