(trifluoromethylsulfanylamino)sulfanylcyclohexane

C7H12F3NS2 — CID 88577348

IUPAC(trifluoromethylsulfanylamino)sulfanylcyclohexane
SMILESFC(F)(F)SNSC1CCCCC1
InChIInChI=1S/C7H12F3NS2/c8-7(9,10)13-11-12-6-4-2-1-3-5-6/h6,11H,1-5H2
InChIKeyRRMYQRTWKCANAE-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.72
Rot. Bonds3

About (trifluoromethylsulfanylamino)sulfanylcyclohexane

(trifluoromethylsulfanylamino)sulfanylcyclohexane (PubChem CID 88577348) has the molecular formula C7H12F3NS2 and a molecular weight of 231.31 g/mol. Its IUPAC name is (trifluoromethylsulfanylamino)sulfanylcyclohexane.

Molecular Properties

Compound Name(trifluoromethylsulfanylamino)sulfanylcyclohexane
PubChem CID88577348
Molecular FormulaC7H12F3NS2
Molecular Weight231.31 g/mol
Exact Mass231.04
IUPAC Name(trifluoromethylsulfanylamino)sulfanylcyclohexane
SMILESFC(F)(F)SNSC1CCCCC1
InChIInChI=1S/C7H12F3NS2/c8-7(9,10)13-11-12-6-4-2-1-3-5-6/h6,11H,1-5H2
InChIKeyRRMYQRTWKCANAE-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Trifluoromethyldisulfanyl)cyclohexane
CID 10536700
(Fluoromethylsulfanylamino)sulfanylcyclohexane
CID 89041201
S-(4,4-difluorocyclohexyl)thiohydroxylamine
CID 141168341
[Oxido(trifluoromethylsulfanyl)azaniumyl]sulfanylcyclohexane
CID 163728040
[Oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane
CID 163728041

Frequently Asked Questions

What is the IUPAC name of (trifluoromethylsulfanylamino)sulfanylcyclohexane?
The IUPAC name of (trifluoromethylsulfanylamino)sulfanylcyclohexane (CID 88577348) is (trifluoromethylsulfanylamino)sulfanylcyclohexane.
What is the SMILES notation for (trifluoromethylsulfanylamino)sulfanylcyclohexane?
The canonical SMILES for (trifluoromethylsulfanylamino)sulfanylcyclohexane is FC(F)(F)SNSC1CCCCC1.
What is the InChIKey of (trifluoromethylsulfanylamino)sulfanylcyclohexane?
The InChIKey is RRMYQRTWKCANAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS2/c8-7(9,10)13-11-12-6-4-2-1-3-5-6/h6,11H,1-5H2.
What are the key properties of (trifluoromethylsulfanylamino)sulfanylcyclohexane?
(trifluoromethylsulfanylamino)sulfanylcyclohexane has a molecular weight of 231.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (trifluoromethylsulfanylamino)sulfanylcyclohexane is sourced from PubChem (CID 88577348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).