1,3-dicyclohexyl-5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione

C18H28N2O3S — CID 132792386

IUPAC1,3-dicyclohexyl-5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione
SMILESCS(C)=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H28N2O3S/c1-24(2)15-16(21)19(13-9-5-3-6-10-13)18(23)20(17(15)22)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3
InChIKeyYLQOWFFABBTDQI-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.14
Rot. Bonds2

About 1,3-dicyclohexyl-5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione

1,3-dicyclohexyl-5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione (PubChem CID 132792386) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dicyclohexyl-5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione
PubChem CID132792386
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name1,3-dicyclohexyl-5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione
SMILESCS(C)=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H28N2O3S/c1-24(2)15-16(21)19(13-9-5-3-6-10-13)18(23)20(17(15)22)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3
InChIKeyYLQOWFFABBTDQI-UHFFFAOYSA-N
XLogP3.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', '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-dicyclohexyl-5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dicyclohexyl-5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione (CID 132792386) is 1,3-dicyclohexyl-5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dicyclohexyl-5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dicyclohexyl-5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione is CS(C)=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1,3-dicyclohexyl-5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione?
The InChIKey is YLQOWFFABBTDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-24(2)15-16(21)19(13-9-5-3-6-10-13)18(23)20(17(15)22)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1,3-dicyclohexyl-5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione?
1,3-dicyclohexyl-5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione has a molecular weight of 352.50 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 132792386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).