N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine

C15H29NO2S — CID 81024849

IUPACN-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine
SMILESCCS(=O)(=O)CCCC1CCCCC1CNC1CC1
InChIInChI=1S/C15H29NO2S/c1-2-19(17,18)11-5-8-13-6-3-4-7-14(13)12-16-15-9-10-15/h13-16H,2-12H2,1H3
InChIKeyRZKSZMCSXYEDSJ-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.76
Rot. Bonds8

About N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine

N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 81024849) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID81024849
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC NameN-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine
SMILESCCS(=O)(=O)CCCC1CCCCC1CNC1CC1
InChIInChI=1S/C15H29NO2S/c1-2-19(17,18)11-5-8-13-6-3-4-7-14(13)12-16-15-9-10-15/h13-16H,2-12H2,1H3
InChIKeyRZKSZMCSXYEDSJ-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine (CID 81024849) is N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine is CCS(=O)(=O)CCCC1CCCCC1CNC1CC1.
What is the InChIKey of N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is RZKSZMCSXYEDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-2-19(17,18)11-5-8-13-6-3-4-7-14(13)12-16-15-9-10-15/h13-16H,2-12H2,1H3.
What are the key properties of N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine?
N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 287.47 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81024849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).