N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine

C13H27NO2S — CID 81034450

IUPACN-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1CCCS(=O)(=O)CC
InChIInChI=1S/C13H27NO2S/c1-3-14-11-13-8-5-7-12(13)9-6-10-17(15,16)4-2/h12-14H,3-11H2,1-2H3
InChIKeySJJJOHVSHQKRNN-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.23
Rot. Bonds8

About N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine

N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine (PubChem CID 81034450) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine
PubChem CID81034450
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1CCCS(=O)(=O)CC
InChIInChI=1S/C13H27NO2S/c1-3-14-11-13-8-5-7-12(13)9-6-10-17(15,16)4-2/h12-14H,3-11H2,1-2H3
InChIKeySJJJOHVSHQKRNN-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.23
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)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine (CID 81034450) is N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine is CCNCC1CCCC1CCCS(=O)(=O)CC.
What is the InChIKey of N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine?
The InChIKey is SJJJOHVSHQKRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-3-14-11-13-8-5-7-12(13)9-6-10-17(15,16)4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine?
N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine has a molecular weight of 261.43 g/mol, XLogP of 2.23, 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)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 81034450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).