5-methyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4-dione

C10H18N2O4S — CID 79778043

IUPAC5-methyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4-dione
SMILESCC1CN(CC(C)(C)S(C)(=O)=O)C(=O)NC1=O
InChIInChI=1S/C10H18N2O4S/c1-7-5-12(9(14)11-8(7)13)6-10(2,3)17(4,15)16/h7H,5-6H2,1-4H3,(H,11,13,14)
InChIKeyVVYYZASDUJQBTB-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.00
Rot. Bonds3

About 5-methyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4-dione

5-methyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4-dione (PubChem CID 79778043) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-methyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4-dione
PubChem CID79778043
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name5-methyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4-dione
SMILESCC1CN(CC(C)(C)S(C)(=O)=O)C(=O)NC1=O
InChIInChI=1S/C10H18N2O4S/c1-7-5-12(9(14)11-8(7)13)6-10(2,3)17(4,15)16/h7H,5-6H2,1-4H3,(H,11,13,14)
InChIKeyVVYYZASDUJQBTB-UHFFFAOYSA-N
XLogP-0.00
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione
CID 76886990
1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione
CID 77073664
1-butyl-5-methyl-1,3-diazinane-2,4-dione
CID 78199091
5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione
CID 106433160
5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione
CID 114516917
1-but-3-ynyl-5-methyl-1,3-diazinane-2,4-dione
CID 77069594
1-but-3-enyl-5-methyl-1,3-diazinane-2,4-dione
CID 78176488
1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2,3-dione
CID 79558428
3,3-diethyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine-2,5-dione
CID 79551117
5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione
CID 81173664
1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione
CID 77073110
2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one
CID 83259357

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4-dione (CID 79778043) is 5-methyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4-dione is CC1CN(CC(C)(C)S(C)(=O)=O)C(=O)NC1=O.
What is the InChIKey of 5-methyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4-dione?
The InChIKey is VVYYZASDUJQBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-7-5-12(9(14)11-8(7)13)6-10(2,3)17(4,15)16/h7H,5-6H2,1-4H3,(H,11,13,14).
What are the key properties of 5-methyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4-dione?
5-methyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4-dione has a molecular weight of 262.33 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79778043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).