2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine

C17H24F3NO2S — CID 86778646

IUPAC2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine
SMILESCCS(=O)C1CCCCC1NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C17H24F3NO2S/c1-2-24(22)16-6-4-3-5-15(16)21-11-13-7-9-14(10-8-13)23-12-17(18,19)20/h7-10,15-16,21H,2-6,11-12H2,1H3
InChIKeyVGUWOGSHGBAHRI-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.80
Rot. Bonds7

About 2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine

2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine (PubChem CID 86778646) has the molecular formula C17H24F3NO2S and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine
PubChem CID86778646
Molecular FormulaC17H24F3NO2S
Molecular Weight363.45 g/mol
Exact Mass363.15
IUPAC Name2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine
SMILESCCS(=O)C1CCCCC1NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C17H24F3NO2S/c1-2-24(22)16-6-4-3-5-15(16)21-11-13-7-9-14(10-8-13)23-12-17(18,19)20/h7-10,15-16,21H,2-6,11-12H2,1H3
InChIKeyVGUWOGSHGBAHRI-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine (CID 86778646) is 2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine is CCS(=O)C1CCCCC1NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is VGUWOGSHGBAHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO2S/c1-2-24(22)16-6-4-3-5-15(16)21-11-13-7-9-14(10-8-13)23-12-17(18,19)20/h7-10,15-16,21H,2-6,11-12H2,1H3.
What are the key properties of 2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine?
2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 363.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 86778646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).