[oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane

C7H11F3NOS2- — CID 163728041

IUPAC[oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane
SMILES[O-]N(SC1CCCCC1)SC(F)(F)F
InChIInChI=1S/C7H11F3NOS2/c8-7(9,10)14-11(12)13-6-4-2-1-3-5-6/h6H,1-5H2/q-1
InChIKeyVDKFIXGVWFGZAJ-UHFFFAOYSA-N
MW246.30 g/mol
LogP3.94
Rot. Bonds3

About [oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane

[oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane (PubChem CID 163728041) has the molecular formula C7H11F3NOS2- and a molecular weight of 246.30 g/mol. Its IUPAC name is [oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane.

Molecular Properties

Compound Name[oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane
PubChem CID163728041
Molecular FormulaC7H11F3NOS2-
Molecular Weight246.30 g/mol
Exact Mass246.02
IUPAC Name[oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane
SMILES[O-]N(SC1CCCCC1)SC(F)(F)F
InChIInChI=1S/C7H11F3NOS2/c8-7(9,10)14-11(12)13-6-4-2-1-3-5-6/h6H,1-5H2/q-1
InChIKeyVDKFIXGVWFGZAJ-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Trifluoromethylsulfanylamino)sulfanylcyclohexane
CID 88577348
S-(4,4-difluorocyclohexyl)thiohydroxylamine
CID 141168341
[Oxido(trifluoromethylsulfanyl)azaniumyl]sulfanylcyclohexane
CID 163728040

Frequently Asked Questions

What is the IUPAC name of [oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane?
The IUPAC name of [oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane (CID 163728041) is [oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane.
What is the SMILES notation for [oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane?
The canonical SMILES for [oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane is [O-]N(SC1CCCCC1)SC(F)(F)F.
What is the InChIKey of [oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane?
The InChIKey is VDKFIXGVWFGZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3NOS2/c8-7(9,10)14-11(12)13-6-4-2-1-3-5-6/h6H,1-5H2/q-1.
What are the key properties of [oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane?
[oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane has a molecular weight of 246.30 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane is sourced from PubChem (CID 163728041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).