3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

C12H20F3NS — CID 103778131

IUPAC3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESFC(F)(F)SCCNC1CCCC(C2CC2)C1
InChIInChI=1S/C12H20F3NS/c13-12(14,15)17-7-6-16-11-3-1-2-10(8-11)9-4-5-9/h9-11,16H,1-8H2
InChIKeyGPXJGUCMELSUTM-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.80
Rot. Bonds5

About 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 103778131) has the molecular formula C12H20F3NS and a molecular weight of 267.36 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID103778131
Molecular FormulaC12H20F3NS
Molecular Weight267.36 g/mol
Exact Mass267.13
IUPAC Name3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESFC(F)(F)SCCNC1CCCC(C2CC2)C1
InChIInChI=1S/C12H20F3NS/c13-12(14,15)17-7-6-16-11-3-1-2-10(8-11)9-4-5-9/h9-11,16H,1-8H2
InChIKeyGPXJGUCMELSUTM-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (CID 103778131) is 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is FC(F)(F)SCCNC1CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is GPXJGUCMELSUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NS/c13-12(14,15)17-7-6-16-11-3-1-2-10(8-11)9-4-5-9/h9-11,16H,1-8H2.
What are the key properties of 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 103778131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).