2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one

C20H33NO5SSi — CID 58085412

IUPAC2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one
SMILESCO[Si](CCCSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1)(OC)OC
InChIInChI=1S/C20H33NO5SSi/c1-20(2,21-11-13-26-14-12-21)19(22)17-7-9-18(10-8-17)27-15-6-16-28(23-3,24-4)25-5/h7-10H,6,11-16H2,1-5H3
InChIKeyIRFHJOOMIXIFMU-UHFFFAOYSA-N
MW427.64 g/mol
LogP3.34
Rot. Bonds11

About 2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one

2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one (PubChem CID 58085412) has the molecular formula C20H33NO5SSi and a molecular weight of 427.64 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one
PubChem CID58085412
Molecular FormulaC20H33NO5SSi
Molecular Weight427.64 g/mol
Exact Mass427.18
IUPAC Name2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one
SMILESCO[Si](CCCSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1)(OC)OC
InChIInChI=1S/C20H33NO5SSi/c1-20(2,21-11-13-26-14-12-21)19(22)17-7-9-18(10-8-17)27-15-6-16-28(23-3,24-4)25-5/h7-10H,6,11-16H2,1-5H3
InChIKeyIRFHJOOMIXIFMU-UHFFFAOYSA-N
XLogP3.34
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.64
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(4-butylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19879444
2-[3-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylpropylsulfanylmethyl]prop-2-enoic acid
CID 18755071
2-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylethyl 2-methylprop-2-enoate
CID 23325645
lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide
CID 165164955
3-[methyl-[2-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylethyl]amino]propane-1-sulfonic acid
CID 118136936
1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866996
S-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl] methanethioate
CID 87506630
2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one
CID 19879538
1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 129155311
1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane
CID 157392457
2-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylbutanedioic acid
CID 144999377
2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one
CID 18755073

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one?
The IUPAC name of 2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one (CID 58085412) is 2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one is CO[Si](CCCSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1)(OC)OC.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one?
The InChIKey is IRFHJOOMIXIFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO5SSi/c1-20(2,21-11-13-26-14-12-21)19(22)17-7-9-18(10-8-17)27-15-6-16-28(23-3,24-4)25-5/h7-10H,6,11-16H2,1-5H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one?
2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one has a molecular weight of 427.64 g/mol, XLogP of 3.34, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one is sourced from PubChem (CID 58085412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).