5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

C20H28N2O2S — CID 140667964

IUPAC5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESCCN1C(=O)C(=C2C=C(C3CCCCC3)CCC2)C(=O)N(CC)C1=S
InChIInChI=1S/C20H28N2O2S/c1-3-21-18(23)17(19(24)22(4-2)20(21)25)16-12-8-11-15(13-16)14-9-6-5-7-10-14/h13-14H,3-12H2,1-2H3
InChIKeyPWEOMLNJXQWNEL-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.97
Rot. Bonds3

About 5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione (PubChem CID 140667964) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is 5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
PubChem CID140667964
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESCCN1C(=O)C(=C2C=C(C3CCCCC3)CCC2)C(=O)N(CC)C1=S
InChIInChI=1S/C20H28N2O2S/c1-3-21-18(23)17(19(24)22(4-2)20(21)25)16-12-8-11-15(13-16)14-9-6-5-7-10-14/h13-14H,3-12H2,1-2H3
InChIKeyPWEOMLNJXQWNEL-UHFFFAOYSA-N
XLogP3.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-diethyl-2-thioxo-5-(3,5,5-trimethylcyclohex-2-en-1-ylidene)dihydropyrimidine-4,6(1H,5H)-dione
CID 21474949
(5E)-1-ethyl-5-[(E)-3-(3-fluorocyclohexyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 140667920
1,3-diethyl-5-[(E)-3-(4-fluorocyclohexyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 140667936
(5E)-1-ethyl-5-[(E)-3-(4-fluorocyclohexyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 140667938
5-[(E)-3-(2,6-difluorocyclohexyl)prop-2-enylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 140667981
1,3-diethyl-5-[(E)-3-(3-fluorocyclohexyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 140667995
1,3-diethyl-5-(7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 101173311
5-(3,5-Ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 18444161
5-[(2E)-2-[3-[(E)-2-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 22967658
5-[(2E,6E)-2,6-bis[(E)-but-2-enylidene]cyclohexylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 60101143
1,3-Diethyl-5-(1-methyl-4a,5,6,7,8,8a-hexahydroquinolin-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 140453701
(5Z)-1-prop-2-enyl-2-sulfanylidene-5-[2-(2,6,6-trimethylcyclohexen-1-yl)ethylidene]-1,3-diazinane-4,6-dione
CID 140486027

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CID 140667964) is 5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione is CCN1C(=O)C(=C2C=C(C3CCCCC3)CCC2)C(=O)N(CC)C1=S.
What is the InChIKey of 5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The InChIKey is PWEOMLNJXQWNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-3-21-18(23)17(19(24)22(4-2)20(21)25)16-12-8-11-15(13-16)14-9-6-5-7-10-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione has a molecular weight of 360.52 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohexylcyclohex-2-en-1-ylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 140667964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).