5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one

C18H23N3O5S — CID 146251918

IUPAC5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one
SMILESCS(=O)(=O)c1ccc(-n2cc(CCCO)nc(N3CCOCC3)c2=O)cc1
InChIInChI=1S/C18H23N3O5S/c1-27(24,25)16-6-4-15(5-7-16)21-13-14(3-2-10-22)19-17(18(21)23)20-8-11-26-12-9-20/h4-7,13,22H,2-3,8-12H2,1H3
InChIKeyLHKVSALSASLJAA-UHFFFAOYSA-N
MW393.47 g/mol
LogP0.40
Rot. Bonds6

About 5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one

5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one (PubChem CID 146251918) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one.

Molecular Properties

Compound Name5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one
PubChem CID146251918
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one
SMILESCS(=O)(=O)c1ccc(-n2cc(CCCO)nc(N3CCOCC3)c2=O)cc1
InChIInChI=1S/C18H23N3O5S/c1-27(24,25)16-6-4-15(5-7-16)21-13-14(3-2-10-22)19-17(18(21)23)20-8-11-26-12-9-20/h4-7,13,22H,2-3,8-12H2,1H3
InChIKeyLHKVSALSASLJAA-UHFFFAOYSA-N
XLogP0.40
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-Fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one
CID 146243005
N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide
CID 142709743
5-(3-Hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one
CID 146242939
Ethyl 3-[4-[4-(dimethylsulfamoyl)phenyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate
CID 146242951
4-[4-[4-(Dimethylsulfamoyl)phenyl]-6-(3-ethoxy-3-oxopropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146242963
4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 146242989
4-[4-[4-(Dimethylsulfamoyl)phenyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146243076
3-[4-(4-Methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal
CID 146251923
Ethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate
CID 146251932
Tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylate
CID 146251934
ethyl (E)-3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]prop-2-enoate
CID 146252071
Ethane;5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one
CID 153363092

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one?
The IUPAC name of 5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one (CID 146251918) is 5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one.
What is the SMILES notation for 5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one?
The canonical SMILES for 5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one is CS(=O)(=O)c1ccc(-n2cc(CCCO)nc(N3CCOCC3)c2=O)cc1.
What is the InChIKey of 5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one?
The InChIKey is LHKVSALSASLJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-27(24,25)16-6-4-15(5-7-16)21-13-14(3-2-10-22)19-17(18(21)23)20-8-11-26-12-9-20/h4-7,13,22H,2-3,8-12H2,1H3.
What are the key properties of 5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one?
5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one has a molecular weight of 393.47 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one is sourced from PubChem (CID 146251918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).