1,3,5,5-tetramethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

C8H12N2O2S — CID 12636592

IUPAC1,3,5,5-tetramethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESCN1C(=O)C(C)(C)C(=O)N(C)C1=S
InChIInChI=1S/C8H12N2O2S/c1-8(2)5(11)9(3)7(13)10(4)6(8)12/h1-4H3
InChIKeyPOJOWKMTJWOUGR-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.23
Rot. Bonds

About 1,3,5,5-tetramethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

1,3,5,5-tetramethyl-2-sulfanylidene-1,3-diazinane-4,6-dione (PubChem CID 12636592) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 1,3,5,5-tetramethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name1,3,5,5-tetramethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
PubChem CID12636592
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name1,3,5,5-tetramethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESCN1C(=O)C(C)(C)C(=O)N(C)C1=S
InChIInChI=1S/C8H12N2O2S/c1-8(2)5(11)9(3)7(13)10(4)6(8)12/h1-4H3
InChIKeyPOJOWKMTJWOUGR-UHFFFAOYSA-N
XLogP0.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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-sulfanylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 1,3,5,5-tetramethyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CID 12636592) is 1,3,5,5-tetramethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 1,3,5,5-tetramethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 1,3,5,5-tetramethyl-2-sulfanylidene-1,3-diazinane-4,6-dione is CN1C(=O)C(C)(C)C(=O)N(C)C1=S.
What is the InChIKey of 1,3,5,5-tetramethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The InChIKey is POJOWKMTJWOUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/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-sulfanylidene-1,3-diazinane-4,6-dione?
1,3,5,5-tetramethyl-2-sulfanylidene-1,3-diazinane-4,6-dione has a molecular weight of 200.26 g/mol, XLogP of 0.23, 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-sulfanylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 12636592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).