1-(4-methylsulfonylphenyl)diazinan-3-one

C11H14N2O3S — CID 15056523

IUPAC1-(4-methylsulfonylphenyl)diazinan-3-one
SMILESCS(=O)(=O)c1ccc(N2CCCC(=O)N2)cc1
InChIInChI=1S/C11H14N2O3S/c1-17(15,16)10-6-4-9(5-7-10)13-8-2-3-11(14)12-13/h4-7H,2-3,8H2,1H3,(H,12,14)
InChIKeySIDFIPWZIFYCTD-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.72
Rot. Bonds2

About 1-(4-methylsulfonylphenyl)diazinan-3-one

1-(4-methylsulfonylphenyl)diazinan-3-one (PubChem CID 15056523) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)diazinan-3-one.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)diazinan-3-one
PubChem CID15056523
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-(4-methylsulfonylphenyl)diazinan-3-one
SMILESCS(=O)(=O)c1ccc(N2CCCC(=O)N2)cc1
InChIInChI=1S/C11H14N2O3S/c1-17(15,16)10-6-4-9(5-7-10)13-8-2-3-11(14)12-13/h4-7H,2-3,8H2,1H3,(H,12,14)
InChIKeySIDFIPWZIFYCTD-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)diazinan-3-one?
The IUPAC name of 1-(4-methylsulfonylphenyl)diazinan-3-one (CID 15056523) is 1-(4-methylsulfonylphenyl)diazinan-3-one.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)diazinan-3-one?
The canonical SMILES for 1-(4-methylsulfonylphenyl)diazinan-3-one is CS(=O)(=O)c1ccc(N2CCCC(=O)N2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)diazinan-3-one?
The InChIKey is SIDFIPWZIFYCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-17(15,16)10-6-4-9(5-7-10)13-8-2-3-11(14)12-13/h4-7H,2-3,8H2,1H3,(H,12,14).
What are the key properties of 1-(4-methylsulfonylphenyl)diazinan-3-one?
1-(4-methylsulfonylphenyl)diazinan-3-one has a molecular weight of 254.31 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)diazinan-3-one is sourced from PubChem (CID 15056523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).