[1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine

C12H25NO3S — CID 65093753

IUPAC[1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine
SMILESCCS(=O)(=O)CCCOC1(CN)CCC(C)C1
InChIInChI=1S/C12H25NO3S/c1-3-17(14,15)8-4-7-16-12(10-13)6-5-11(2)9-12/h11H,3-10,13H2,1-2H3
InChIKeyDGWYAWBFFJMEKV-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.35
Rot. Bonds7

About [1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine

[1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine (PubChem CID 65093753) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is [1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine
PubChem CID65093753
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name[1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine
SMILESCCS(=O)(=O)CCCOC1(CN)CCC(C)C1
InChIInChI=1S/C12H25NO3S/c1-3-17(14,15)8-4-7-16-12(10-13)6-5-11(2)9-12/h11H,3-10,13H2,1-2H3
InChIKeyDGWYAWBFFJMEKV-UHFFFAOYSA-N
XLogP1.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.35
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-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine?
The IUPAC name of [1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine (CID 65093753) is [1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine?
The canonical SMILES for [1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine is CCS(=O)(=O)CCCOC1(CN)CCC(C)C1.
What is the InChIKey of [1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine?
The InChIKey is DGWYAWBFFJMEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-3-17(14,15)8-4-7-16-12(10-13)6-5-11(2)9-12/h11H,3-10,13H2,1-2H3.
What are the key properties of [1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine?
[1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine has a molecular weight of 263.40 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine is sourced from PubChem (CID 65093753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).