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

C11H19F3N2OS — CID 114187609

IUPAC1-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCCSC(F)(F)F)CCCCC1
InChIInChI=1S/C11H19F3N2OS/c12-11(13,14)18-7-6-16-9(17)10(8-15)4-2-1-3-5-10/h1-8,15H2,(H,16,17)
InChIKeyDENWWZRLOBLJDP-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.26
Rot. Bonds5

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

1-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 114187609) has the molecular formula C11H19F3N2OS and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
PubChem CID114187609
Molecular FormulaC11H19F3N2OS
Molecular Weight284.35 g/mol
Exact Mass284.12
IUPAC Name1-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCCSC(F)(F)F)CCCCC1
InChIInChI=1S/C11H19F3N2OS/c12-11(13,14)18-7-6-16-9(17)10(8-15)4-2-1-3-5-10/h1-8,15H2,(H,16,17)
InChIKeyDENWWZRLOBLJDP-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.26
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 1-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide (CID 114187609) is 1-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide is NCC1(C(=O)NCCSC(F)(F)F)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is DENWWZRLOBLJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2OS/c12-11(13,14)18-7-6-16-9(17)10(8-15)4-2-1-3-5-10/h1-8,15H2,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 284.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 114187609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).