5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione

C14H24N2S2 — CID 23903414

IUPAC5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione
SMILESS=C1SCN(C2CCCCC2)CN1C1CCCC1
InChIInChI=1S/C14H24N2S2/c17-14-16(13-8-4-5-9-13)10-15(11-18-14)12-6-2-1-3-7-12/h12-13H,1-11H2
InChIKeyYKXAKAKXGSILNL-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.81
Rot. Bonds2

About 5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione

5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione (PubChem CID 23903414) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is 5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione.

Molecular Properties

Compound Name5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione
PubChem CID23903414
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC Name5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione
SMILESS=C1SCN(C2CCCCC2)CN1C1CCCC1
InChIInChI=1S/C14H24N2S2/c17-14-16(13-8-4-5-9-13)10-15(11-18-14)12-6-2-1-3-7-12/h12-13H,1-11H2
InChIKeyYKXAKAKXGSILNL-UHFFFAOYSA-N
XLogP3.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione
CID 23884011
3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione
CID 23969357
1-cycloheptyl-2,5-dihydropyrrole
CID 139880348
5-[(1S,5S)-3,3,5-trimethylcyclohexyl]-3-[(1S,5R)-3,3,5-trimethylcyclohexyl]-1,3,5-thiadiazinane-2-thione
CID 124794777
1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine
CID 177475844
3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione
CID 20572285
1,3-dicyclohexyl-N-trimethylsilylimidazolidin-4-imine
CID 163215978
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
5-cyclopentyl-1,3,5-triazinane-2-thione
CID 2824035
(1,3-dicyclohexylimidazolidin-2-ylidene)rhodium
CID 142675127

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione?
The IUPAC name of 5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione (CID 23903414) is 5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione.
What is the SMILES notation for 5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione?
The canonical SMILES for 5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione is S=C1SCN(C2CCCCC2)CN1C1CCCC1.
What is the InChIKey of 5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione?
The InChIKey is YKXAKAKXGSILNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c17-14-16(13-8-4-5-9-13)10-15(11-18-14)12-6-2-1-3-7-12/h12-13H,1-11H2.
What are the key properties of 5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione?
5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione has a molecular weight of 284.49 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione is sourced from PubChem (CID 23903414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).