N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine

C14H19F3N2S — CID 62577316

IUPACN-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine
SMILESFC(F)(F)c1ccc(SCCNC2CCCCC2)nc1
InChIInChI=1S/C14H19F3N2S/c15-14(16,17)11-6-7-13(19-10-11)20-9-8-18-12-4-2-1-3-5-12/h6-7,10,12,18H,1-5,8-9H2
InChIKeyJMGORLZWKWQLKD-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.11
Rot. Bonds5

About N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine

N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine (PubChem CID 62577316) has the molecular formula C14H19F3N2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine
PubChem CID62577316
Molecular FormulaC14H19F3N2S
Molecular Weight304.38 g/mol
Exact Mass304.12
IUPAC NameN-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine
SMILESFC(F)(F)c1ccc(SCCNC2CCCCC2)nc1
InChIInChI=1S/C14H19F3N2S/c15-14(16,17)11-6-7-13(19-10-11)20-9-8-18-12-4-2-1-3-5-12/h6-7,10,12,18H,1-5,8-9H2
InChIKeyJMGORLZWKWQLKD-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
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 N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine?
The IUPAC name of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine (CID 62577316) is N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine?
The canonical SMILES for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine is FC(F)(F)c1ccc(SCCNC2CCCCC2)nc1.
What is the InChIKey of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine?
The InChIKey is JMGORLZWKWQLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2S/c15-14(16,17)11-6-7-13(19-10-11)20-9-8-18-12-4-2-1-3-5-12/h6-7,10,12,18H,1-5,8-9H2.
What are the key properties of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine?
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine has a molecular weight of 304.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine is sourced from PubChem (CID 62577316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).