N-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine

C14H27NO2S — CID 55106788

IUPACN-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
SMILESCCS(=O)(=O)CCC1(CNC2CC2)CCCCC1
InChIInChI=1S/C14H27NO2S/c1-2-18(16,17)11-10-14(8-4-3-5-9-14)12-15-13-6-7-13/h13,15H,2-12H2,1H3
InChIKeyFLCHPTKUDIBDCN-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.51
Rot. Bonds7

About N-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine

N-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 55106788) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID55106788
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC NameN-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
SMILESCCS(=O)(=O)CCC1(CNC2CC2)CCCCC1
InChIInChI=1S/C14H27NO2S/c1-2-18(16,17)11-10-14(8-4-3-5-9-14)12-15-13-6-7-13/h13,15H,2-12H2,1H3
InChIKeyFLCHPTKUDIBDCN-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine (CID 55106788) is N-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine is CCS(=O)(=O)CCC1(CNC2CC2)CCCCC1.
What is the InChIKey of N-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is FLCHPTKUDIBDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-2-18(16,17)11-10-14(8-4-3-5-9-14)12-15-13-6-7-13/h13,15H,2-12H2,1H3.
What are the key properties of N-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine?
N-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 273.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 55106788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).