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

C10H16N2OS2 — CID 71675967

IUPAC5,5-dipropyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one
SMILESCCCC1(CCC)C(=O)NC(=S)NC1=S
InChIInChI=1S/C10H16N2OS2/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyJEHQSGHHQIZUCW-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.90
Rot. Bonds4

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

5,5-dipropyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one (PubChem CID 71675967) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 5,5-dipropyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one.

Molecular Properties

Compound Name5,5-dipropyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one
PubChem CID71675967
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC Name5,5-dipropyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one
SMILESCCCC1(CCC)C(=O)NC(=S)NC1=S
InChIInChI=1S/C10H16N2OS2/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyJEHQSGHHQIZUCW-UHFFFAOYSA-N
XLogP1.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-pentyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033572
sodium;5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;hydride
CID 173031111
5,5-diethyl-1,3-diazinane-2,4,6-trithione
CID 30106148
5,5-dipropyl-2-sulfanylideneimidazolidin-4-one
CID 82997958
5-prop-2-enyl-2-sulfanylidene-5-tetradecyl-1,3-diazinane-4,6-dione
CID 3032767
CID 131883137
CID 131883137
5-[(E)-but-2-enyl]-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 5475153
5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 92524095
5-(1-butylsulfanylethyl)-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033438
CID 131882586
CID 131882586
5-(2-hydroxypropyl)-5-(3-methylbutyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 10635924
5-(2-hydroxypropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 528894

Frequently Asked Questions

What is the IUPAC name of 5,5-dipropyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one?
The IUPAC name of 5,5-dipropyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one (CID 71675967) is 5,5-dipropyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one.
What is the SMILES notation for 5,5-dipropyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one?
The canonical SMILES for 5,5-dipropyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one is CCCC1(CCC)C(=O)NC(=S)NC1=S.
What is the InChIKey of 5,5-dipropyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one?
The InChIKey is JEHQSGHHQIZUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 5,5-dipropyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one?
5,5-dipropyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one has a molecular weight of 244.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dipropyl-2,6-bis(sulfanylidene)-1,3-diazinan-4-one is sourced from PubChem (CID 71675967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).