1,3,5-trimethyl-5-sulfanyl-1,3-diazinane-2,4,6-trione

C7H10N2O3S — CID 22149446

IUPAC1,3,5-trimethyl-5-sulfanyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)N(C)C(=O)C(C)(S)C1=O
InChIInChI=1S/C7H10N2O3S/c1-7(13)4(10)8(2)6(12)9(3)5(7)11/h13H,1-3H3
InChIKeyCYYHFLQXUJFXOA-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.27
Rot. Bonds

About 1,3,5-trimethyl-5-sulfanyl-1,3-diazinane-2,4,6-trione

1,3,5-trimethyl-5-sulfanyl-1,3-diazinane-2,4,6-trione (PubChem CID 22149446) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 1,3,5-trimethyl-5-sulfanyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-trimethyl-5-sulfanyl-1,3-diazinane-2,4,6-trione
PubChem CID22149446
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name1,3,5-trimethyl-5-sulfanyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)N(C)C(=O)C(C)(S)C1=O
InChIInChI=1S/C7H10N2O3S/c1-7(13)4(10)8(2)6(12)9(3)5(7)11/h13H,1-3H3
InChIKeyCYYHFLQXUJFXOA-UHFFFAOYSA-N
XLogP-0.27
TPSA57.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-5-sulfanyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3,5-trimethyl-5-sulfanyl-1,3-diazinane-2,4,6-trione (CID 22149446) is 1,3,5-trimethyl-5-sulfanyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-trimethyl-5-sulfanyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-trimethyl-5-sulfanyl-1,3-diazinane-2,4,6-trione is CN1C(=O)N(C)C(=O)C(C)(S)C1=O.
What is the InChIKey of 1,3,5-trimethyl-5-sulfanyl-1,3-diazinane-2,4,6-trione?
The InChIKey is CYYHFLQXUJFXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-7(13)4(10)8(2)6(12)9(3)5(7)11/h13H,1-3H3.
What are the key properties of 1,3,5-trimethyl-5-sulfanyl-1,3-diazinane-2,4,6-trione?
1,3,5-trimethyl-5-sulfanyl-1,3-diazinane-2,4,6-trione has a molecular weight of 202.23 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-5-sulfanyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 22149446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).