5-ethyl-5-(1-ethylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

C10H16N2O2S2 — CID 3033371

IUPAC5-ethyl-5-(1-ethylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESCCSC(C)C1(CC)C(=O)NC(=S)NC1=O
InChIInChI=1S/C10H16N2O2S2/c1-4-10(6(3)16-5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyHGDZMVAQYCQZNJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.06
Rot. Bonds4

About 5-ethyl-5-(1-ethylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

5-ethyl-5-(1-ethylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (PubChem CID 3033371) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-ethyl-5-(1-ethylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-ethyl-5-(1-ethylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
PubChem CID3033371
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name5-ethyl-5-(1-ethylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESCCSC(C)C1(CC)C(=O)NC(=S)NC1=O
InChIInChI=1S/C10H16N2O2S2/c1-4-10(6(3)16-5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyHGDZMVAQYCQZNJ-UHFFFAOYSA-N
XLogP1.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-ethyl-5-(1-ethylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 5-ethyl-5-(1-ethylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CID 3033371) is 5-ethyl-5-(1-ethylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-ethyl-5-(1-ethylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-ethyl-5-(1-ethylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is CCSC(C)C1(CC)C(=O)NC(=S)NC1=O.
What is the InChIKey of 5-ethyl-5-(1-ethylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The InChIKey is HGDZMVAQYCQZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-4-10(6(3)16-5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of 5-ethyl-5-(1-ethylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
5-ethyl-5-(1-ethylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione has a molecular weight of 260.38 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(1-ethylsulfanylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 3033371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).