2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide

C10H17F3N2OS — CID 103809183

IUPAC2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C10H17F3N2OS/c11-10(12,13)17-6-5-15-9(16)7-3-1-2-4-8(7)14/h7-8H,1-6,14H2,(H,15,16)
InChIKeyBVLFRYFRJAQMAJ-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.87
Rot. Bonds4

About 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide

2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 103809183) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
PubChem CID103809183
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C10H17F3N2OS/c11-10(12,13)17-6-5-15-9(16)7-3-1-2-4-8(7)14/h7-8H,1-6,14H2,(H,15,16)
InChIKeyBVLFRYFRJAQMAJ-UHFFFAOYSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide (CID 103809183) is 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide is NC1CCCCC1C(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is BVLFRYFRJAQMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c11-10(12,13)17-6-5-15-9(16)7-3-1-2-4-8(7)14/h7-8H,1-6,14H2,(H,15,16).
What are the key properties of 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide?
2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 103809183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).