[1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine

C11H23NO2S — CID 65403298

IUPAC[1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine
SMILESCCS(=O)(=O)CCC1(CN)CCC(C)C1
InChIInChI=1S/C11H23NO2S/c1-3-15(13,14)7-6-11(9-12)5-4-10(2)8-11/h10H,3-9,12H2,1-2H3
InChIKeyGPYPUAHZWJLLOL-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.58
Rot. Bonds5

About [1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine

[1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine (PubChem CID 65403298) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is [1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine
PubChem CID65403298
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name[1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine
SMILESCCS(=O)(=O)CCC1(CN)CCC(C)C1
InChIInChI=1S/C11H23NO2S/c1-3-15(13,14)7-6-11(9-12)5-4-10(2)8-11/h10H,3-9,12H2,1-2H3
InChIKeyGPYPUAHZWJLLOL-UHFFFAOYSA-N
XLogP1.58
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid
CID 87828338
[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
[1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine
CID 82934663
[4-methyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanamine
CID 65395087
2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
CID 46227593
[1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine
CID 65093753
[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
CID 116627826
[1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine
CID 103415092
[3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
CID 106734053
[(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine
CID 99997968
(1-hexyl-3-methylcyclohexyl)methanamine
CID 65394877
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
CID 62006729

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine?
The IUPAC name of [1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine (CID 65403298) is [1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine?
The canonical SMILES for [1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine is CCS(=O)(=O)CCC1(CN)CCC(C)C1.
What is the InChIKey of [1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine?
The InChIKey is GPYPUAHZWJLLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-15(13,14)7-6-11(9-12)5-4-10(2)8-11/h10H,3-9,12H2,1-2H3.
What are the key properties of [1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine?
[1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine has a molecular weight of 233.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine is sourced from PubChem (CID 65403298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).