[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone

C16H23NO2S — CID 27777431

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone
SMILESCCCSc1ccccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H23NO2S/c1-4-9-20-15-8-6-5-7-14(15)16(18)17-10-12(2)19-13(3)11-17/h5-8,12-13H,4,9-11H2,1-3H3/t12-,13+
InChIKeyKFUKKGWJHVZXQV-BETUJISGSA-N
MW293.43 g/mol
LogP3.44
Rot. Bonds4

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone (PubChem CID 27777431) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone
PubChem CID27777431
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone
SMILESCCCSc1ccccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H23NO2S/c1-4-9-20-15-8-6-5-7-14(15)16(18)17-10-12(2)19-13(3)11-17/h5-8,12-13H,4,9-11H2,1-3H3/t12-,13+
InChIKeyKFUKKGWJHVZXQV-BETUJISGSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone (CID 27777431) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone is CCCSc1ccccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone?
The InChIKey is KFUKKGWJHVZXQV-BETUJISGSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-4-9-20-15-8-6-5-7-14(15)16(18)17-10-12(2)19-13(3)11-17/h5-8,12-13H,4,9-11H2,1-3H3/t12-,13+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone has a molecular weight of 293.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone is sourced from PubChem (CID 27777431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).