1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one

C14H16N2O3S — CID 102363745

IUPAC1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one
SMILESC/C=C/C1=NCCC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H16N2O3S/c1-3-4-13-15-10-9-14(17)16(13)20(18,19)12-7-5-11(2)6-8-12/h3-8H,9-10H2,1-2H3/b4-3+
InChIKeyCDLIFGOMAZGFLX-ONEGZZNKSA-N
MW292.36 g/mol
LogP1.89
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one

1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one (PubChem CID 102363745) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one
PubChem CID102363745
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one
SMILESC/C=C/C1=NCCC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H16N2O3S/c1-3-4-13-15-10-9-14(17)16(13)20(18,19)12-7-5-11(2)6-8-12/h3-8H,9-10H2,1-2H3/b4-3+
InChIKeyCDLIFGOMAZGFLX-ONEGZZNKSA-N
XLogP1.89
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one
CID 102225186
2-Methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one
CID 102225194
1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one
CID 102225195
2-Cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
CID 102225196
N-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide
CID 138514123
N,N-diethyl-4-[(E)-3-oxo-3-(2-propan-2-ylimino-1-pyridinyl)prop-1-enyl]benzenesulfonamide
CID 16611938
8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one
CID 46847174
4-hydroxy-2-methyl-N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)pyrimidine-5-carboxamide
CID 72888910
2-(4-Methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
CID 102225187
2-(2-Methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
CID 102363746
2-Methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
CID 102363747
2-Benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
CID 102363750

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one (CID 102363745) is 1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one is C/C=C/C1=NCCC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one?
The InChIKey is CDLIFGOMAZGFLX-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-4-13-15-10-9-14(17)16(13)20(18,19)12-7-5-11(2)6-8-12/h3-8H,9-10H2,1-2H3/b4-3+.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one?
1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one has a molecular weight of 292.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 102363745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).