N-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine

C15H27NO2S — CID 106730275

IUPACN-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
SMILESCCCS(=O)(=O)CCC1(CNC2CC2)CC2CC2C1
InChIInChI=1S/C15H27NO2S/c1-2-6-19(17,18)7-5-15(11-16-14-3-4-14)9-12-8-13(12)10-15/h12-14,16H,2-11H2,1H3
InChIKeyUKUMKAGPIJLTKP-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.37
Rot. Bonds8

About N-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine

N-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine (PubChem CID 106730275) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is N-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
PubChem CID106730275
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC NameN-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
SMILESCCCS(=O)(=O)CCC1(CNC2CC2)CC2CC2C1
InChIInChI=1S/C15H27NO2S/c1-2-6-19(17,18)7-5-15(11-16-14-3-4-14)9-12-8-13(12)10-15/h12-14,16H,2-11H2,1H3
InChIKeyUKUMKAGPIJLTKP-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine (CID 106730275) is N-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine is CCCS(=O)(=O)CCC1(CNC2CC2)CC2CC2C1.
What is the InChIKey of N-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
The InChIKey is UKUMKAGPIJLTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-2-6-19(17,18)7-5-15(11-16-14-3-4-14)9-12-8-13(12)10-15/h12-14,16H,2-11H2,1H3.
What are the key properties of N-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
N-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine has a molecular weight of 285.45 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine is sourced from PubChem (CID 106730275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).