1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one

C12H16N2O4S — CID 174756924

IUPAC1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one
SMILESCOc1ccc(S(=O)(=O)N2CCC(=O)N(C)C2)cc1
InChIInChI=1S/C12H16N2O4S/c1-13-9-14(8-7-12(13)15)19(16,17)11-5-3-10(18-2)4-6-11/h3-6H,7-9H2,1-2H3
InChIKeyRMRAVKOGGYOYJX-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.51
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one

1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one (PubChem CID 174756924) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one
PubChem CID174756924
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one
SMILESCOc1ccc(S(=O)(=O)N2CCC(=O)N(C)C2)cc1
InChIInChI=1S/C12H16N2O4S/c1-13-9-14(8-7-12(13)15)19(16,17)11-5-3-10(18-2)4-6-11/h3-6H,7-9H2,1-2H3
InChIKeyRMRAVKOGGYOYJX-UHFFFAOYSA-N
XLogP0.51
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one
CID 67569957
(6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495408
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline
CID 86099382
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one (CID 174756924) is 1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one is COc1ccc(S(=O)(=O)N2CCC(=O)N(C)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one?
The InChIKey is RMRAVKOGGYOYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-13-9-14(8-7-12(13)15)19(16,17)11-5-3-10(18-2)4-6-11/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one?
1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one has a molecular weight of 284.34 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 174756924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).