4-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide

C10H17F3N2OS — CID 116615432

IUPAC4-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCCSC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2OS/c11-10(12,13)17-6-5-15-8-3-1-7(2-4-8)9(14)16/h7-8,15H,1-6H2,(H2,14,16)
InChIKeyFLUFOHZXVUPQLL-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.87
Rot. Bonds5

About 4-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide

4-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide (PubChem CID 116615432) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide
PubChem CID116615432
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name4-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCCSC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2OS/c11-10(12,13)17-6-5-15-8-3-1-7(2-4-8)9(14)16/h7-8,15H,1-6H2,(H2,14,16)
InChIKeyFLUFOHZXVUPQLL-UHFFFAOYSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide (CID 116615432) is 4-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NCCSC(F)(F)F)CC1.
What is the InChIKey of 4-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide?
The InChIKey is FLUFOHZXVUPQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c11-10(12,13)17-6-5-15-8-3-1-7(2-4-8)9(14)16/h7-8,15H,1-6H2,(H2,14,16).
What are the key properties of 4-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide?
4-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 116615432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).