1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one

C16H23NO3S — CID 18755078

IUPAC1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(SCCO)cc1)N1CCOCC1
InChIInChI=1S/C16H23NO3S/c1-16(2,17-7-10-20-11-8-17)15(19)13-3-5-14(6-4-13)21-12-9-18/h3-6,18H,7-12H2,1-2H3
InChIKeyIVSZAIOOHWNQPC-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.06
Rot. Bonds6

About 1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one

1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 18755078) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID18755078
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(SCCO)cc1)N1CCOCC1
InChIInChI=1S/C16H23NO3S/c1-16(2,17-7-10-20-11-8-17)15(19)13-3-5-14(6-4-13)21-12-9-18/h3-6,18H,7-12H2,1-2H3
InChIKeyIVSZAIOOHWNQPC-UHFFFAOYSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one (CID 18755078) is 1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one is CC(C)(C(=O)c1ccc(SCCO)cc1)N1CCOCC1.
What is the InChIKey of 1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is IVSZAIOOHWNQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-16(2,17-7-10-20-11-8-17)15(19)13-3-5-14(6-4-13)21-12-9-18/h3-6,18H,7-12H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 309.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 18755078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).