1,3,5,5-tetramethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one

C8H12N2OS2 — CID 10536713

IUPAC1,3,5,5-tetramethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one
SMILESCN1C(=O)C(C)(C)C(=S)N(C)C1=S
InChIInChI=1S/C8H12N2OS2/c1-8(2)5(11)9(3)7(13)10(4)6(8)12/h1-4H3
InChIKeyXKIDNNCWVJUHQF-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.03
Rot. Bonds

About 1,3,5,5-tetramethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one

1,3,5,5-tetramethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one (PubChem CID 10536713) has the molecular formula C8H12N2OS2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1,3,5,5-tetramethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one.

Molecular Properties

Compound Name1,3,5,5-tetramethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one
PubChem CID10536713
Molecular FormulaC8H12N2OS2
Molecular Weight216.33 g/mol
Exact Mass216.04
IUPAC Name1,3,5,5-tetramethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one
SMILESCN1C(=O)C(C)(C)C(=S)N(C)C1=S
InChIInChI=1S/C8H12N2OS2/c1-8(2)5(11)9(3)7(13)10(4)6(8)12/h1-4H3
InChIKeyXKIDNNCWVJUHQF-UHFFFAOYSA-N
XLogP1.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,5-tetramethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one?
The IUPAC name of 1,3,5,5-tetramethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one (CID 10536713) is 1,3,5,5-tetramethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one.
What is the SMILES notation for 1,3,5,5-tetramethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one?
The canonical SMILES for 1,3,5,5-tetramethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one is CN1C(=O)C(C)(C)C(=S)N(C)C1=S.
What is the InChIKey of 1,3,5,5-tetramethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one?
The InChIKey is XKIDNNCWVJUHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS2/c1-8(2)5(11)9(3)7(13)10(4)6(8)12/h1-4H3.
What are the key properties of 1,3,5,5-tetramethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one?
1,3,5,5-tetramethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one has a molecular weight of 216.33 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,5-tetramethyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one is sourced from PubChem (CID 10536713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).