(5-methylsulfanylfuran-2-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone

C16H21N3O3S — CID 75471260

IUPAC(5-methylsulfanylfuran-2-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCSc1ccc(C(=O)N2CCOCC2c2c(C)nn(C)c2C)o1
InChIInChI=1S/C16H21N3O3S/c1-10-15(11(2)18(3)17-10)12-9-21-8-7-19(12)16(20)13-5-6-14(22-13)23-4/h5-6,12H,7-9H2,1-4H3
InChIKeyAZEYBTMOTWLMKD-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.57
Rot. Bonds3

About (5-methylsulfanylfuran-2-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone

(5-methylsulfanylfuran-2-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone (PubChem CID 75471260) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is (5-methylsulfanylfuran-2-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-methylsulfanylfuran-2-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
PubChem CID75471260
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name(5-methylsulfanylfuran-2-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCSc1ccc(C(=O)N2CCOCC2c2c(C)nn(C)c2C)o1
InChIInChI=1S/C16H21N3O3S/c1-10-15(11(2)18(3)17-10)12-9-21-8-7-19(12)16(20)13-5-6-14(22-13)23-4/h5-6,12H,7-9H2,1-4H3
InChIKeyAZEYBTMOTWLMKD-UHFFFAOYSA-N
XLogP2.57
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methylsulfanylfuran-2-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-methylsulfanylfuran-2-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone (CID 75471260) is (5-methylsulfanylfuran-2-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-methylsulfanylfuran-2-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-methylsulfanylfuran-2-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone is CSc1ccc(C(=O)N2CCOCC2c2c(C)nn(C)c2C)o1.
What is the InChIKey of (5-methylsulfanylfuran-2-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
The InChIKey is AZEYBTMOTWLMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-10-15(11(2)18(3)17-10)12-9-21-8-7-19(12)16(20)13-5-6-14(22-13)23-4/h5-6,12H,7-9H2,1-4H3.
What are the key properties of (5-methylsulfanylfuran-2-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
(5-methylsulfanylfuran-2-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone has a molecular weight of 335.43 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfanylfuran-2-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 75471260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).