[2-[4-(5-cyclohexyl-4,4-dimethylpentyl)iminopiperidin-1-yl]pyrimidin-5-yl] thiohypofluorite

C22H35FN4S — CID 134591722

IUPAC[2-[4-(5-cyclohexyl-4,4-dimethylpentyl)iminopiperidin-1-yl]pyrimidin-5-yl] thiohypofluorite
SMILESCC(C)(CCCN=C1CCN(c2ncc(SF)cn2)CC1)CC1CCCCC1
InChIInChI=1S/C22H35FN4S/c1-22(2,15-18-7-4-3-5-8-18)11-6-12-24-19-9-13-27(14-10-19)21-25-16-20(28-23)17-26-21/h16-18H,3-15H2,1-2H3
InChIKeyQIEXUEQVYPIISV-UHFFFAOYSA-N
MW406.62 g/mol
LogP6.27
Rot. Bonds8

About [2-[4-(5-cyclohexyl-4,4-dimethylpentyl)iminopiperidin-1-yl]pyrimidin-5-yl] thiohypofluorite

[2-[4-(5-cyclohexyl-4,4-dimethylpentyl)iminopiperidin-1-yl]pyrimidin-5-yl] thiohypofluorite (PubChem CID 134591722) has the molecular formula C22H35FN4S and a molecular weight of 406.62 g/mol. Its IUPAC name is [2-[4-(5-cyclohexyl-4,4-dimethylpentyl)iminopiperidin-1-yl]pyrimidin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-[4-(5-cyclohexyl-4,4-dimethylpentyl)iminopiperidin-1-yl]pyrimidin-5-yl] thiohypofluorite
PubChem CID134591722
Molecular FormulaC22H35FN4S
Molecular Weight406.62 g/mol
Exact Mass406.26
IUPAC Name[2-[4-(5-cyclohexyl-4,4-dimethylpentyl)iminopiperidin-1-yl]pyrimidin-5-yl] thiohypofluorite
SMILESCC(C)(CCCN=C1CCN(c2ncc(SF)cn2)CC1)CC1CCCCC1
InChIInChI=1S/C22H35FN4S/c1-22(2,15-18-7-4-3-5-8-18)11-6-12-24-19-9-13-27(14-10-19)21-25-16-20(28-23)17-26-21/h16-18H,3-15H2,1-2H3
InChIKeyQIEXUEQVYPIISV-UHFFFAOYSA-N
XLogP6.27
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.62
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[2-[3-[5-cyclohexyl-3-(fluoromethyl)pentyl]iminoazetidin-1-yl]pyrimidin-5-yl] thiohypofluorite
CID 134591546
1-(5-bromopyrimidin-2-yl)-N-[3-methyl-3-(oxan-2-yloxy)butoxy]piperidin-4-imine
CID 126562083
N-[3-(2-cyclohexylethyl)-7,7-dimethyloctyl]-1-[5-(3-ethyl-2-fluorophenyl)pyrimidin-2-yl]azetidin-3-imine
CID 134591466
3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide
CID 122298424
5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine
CID 176826711
cyclohexanamine;2-piperidin-1-ylpyrimidin-5-amine
CID 144513190
(2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
CID 12052820
1-(5-bromopyrimidin-2-yl)-N-(2-methoxyethoxy)piperidin-4-imine
CID 126561795
5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 155741054
[2-fluoro-3-[2-(4-propoxyiminopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol
CID 126562092
N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 63873038
1-cyclohexyl-2-(5-fluoro-2-pyridinyl)propan-2-amine
CID 83125019

Frequently Asked Questions

What is the IUPAC name of [2-[4-(5-cyclohexyl-4,4-dimethylpentyl)iminopiperidin-1-yl]pyrimidin-5-yl] thiohypofluorite?
The IUPAC name of [2-[4-(5-cyclohexyl-4,4-dimethylpentyl)iminopiperidin-1-yl]pyrimidin-5-yl] thiohypofluorite (CID 134591722) is [2-[4-(5-cyclohexyl-4,4-dimethylpentyl)iminopiperidin-1-yl]pyrimidin-5-yl] thiohypofluorite.
What is the SMILES notation for [2-[4-(5-cyclohexyl-4,4-dimethylpentyl)iminopiperidin-1-yl]pyrimidin-5-yl] thiohypofluorite?
The canonical SMILES for [2-[4-(5-cyclohexyl-4,4-dimethylpentyl)iminopiperidin-1-yl]pyrimidin-5-yl] thiohypofluorite is CC(C)(CCCN=C1CCN(c2ncc(SF)cn2)CC1)CC1CCCCC1.
What is the InChIKey of [2-[4-(5-cyclohexyl-4,4-dimethylpentyl)iminopiperidin-1-yl]pyrimidin-5-yl] thiohypofluorite?
The InChIKey is QIEXUEQVYPIISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FN4S/c1-22(2,15-18-7-4-3-5-8-18)11-6-12-24-19-9-13-27(14-10-19)21-25-16-20(28-23)17-26-21/h16-18H,3-15H2,1-2H3.
What are the key properties of [2-[4-(5-cyclohexyl-4,4-dimethylpentyl)iminopiperidin-1-yl]pyrimidin-5-yl] thiohypofluorite?
[2-[4-(5-cyclohexyl-4,4-dimethylpentyl)iminopiperidin-1-yl]pyrimidin-5-yl] thiohypofluorite has a molecular weight of 406.62 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(5-cyclohexyl-4,4-dimethylpentyl)iminopiperidin-1-yl]pyrimidin-5-yl] thiohypofluorite is sourced from PubChem (CID 134591722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).