1-(2-ethylsulfonylethoxymethyl)cyclopentan-1-amine

C10H21NO3S — CID 64574598

IUPAC1-(2-ethylsulfonylethoxymethyl)cyclopentan-1-amine
SMILESCCS(=O)(=O)CCOCC1(N)CCCC1
InChIInChI=1S/C10H21NO3S/c1-2-15(12,13)8-7-14-9-10(11)5-3-4-6-10/h2-9,11H2,1H3
InChIKeyAJJOGXRCRHRXOI-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.71
Rot. Bonds6

About 1-(2-ethylsulfonylethoxymethyl)cyclopentan-1-amine

1-(2-ethylsulfonylethoxymethyl)cyclopentan-1-amine (PubChem CID 64574598) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethoxymethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethoxymethyl)cyclopentan-1-amine
PubChem CID64574598
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-(2-ethylsulfonylethoxymethyl)cyclopentan-1-amine
SMILESCCS(=O)(=O)CCOCC1(N)CCCC1
InChIInChI=1S/C10H21NO3S/c1-2-15(12,13)8-7-14-9-10(11)5-3-4-6-10/h2-9,11H2,1H3
InChIKeyAJJOGXRCRHRXOI-UHFFFAOYSA-N
XLogP0.71
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethoxymethyl)cyclopentan-1-amine?
The IUPAC name of 1-(2-ethylsulfonylethoxymethyl)cyclopentan-1-amine (CID 64574598) is 1-(2-ethylsulfonylethoxymethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2-ethylsulfonylethoxymethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2-ethylsulfonylethoxymethyl)cyclopentan-1-amine is CCS(=O)(=O)CCOCC1(N)CCCC1.
What is the InChIKey of 1-(2-ethylsulfonylethoxymethyl)cyclopentan-1-amine?
The InChIKey is AJJOGXRCRHRXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-2-15(12,13)8-7-14-9-10(11)5-3-4-6-10/h2-9,11H2,1H3.
What are the key properties of 1-(2-ethylsulfonylethoxymethyl)cyclopentan-1-amine?
1-(2-ethylsulfonylethoxymethyl)cyclopentan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethoxymethyl)cyclopentan-1-amine is sourced from PubChem (CID 64574598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).