2-nonylsulfonylethanamine

C11H25NO2S — CID 43829024

IUPAC2-nonylsulfonylethanamine
SMILESCCCCCCCCCS(=O)(=O)CCN
InChIInChI=1S/C11H25NO2S/c1-2-3-4-5-6-7-8-10-15(13,14)11-9-12/h2-12H2,1H3
InChIKeyKDMCSIYSCSGPEC-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.11
Rot. Bonds10

About 2-nonylsulfonylethanamine

2-nonylsulfonylethanamine (PubChem CID 43829024) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 2-nonylsulfonylethanamine.

Molecular Properties

Compound Name2-nonylsulfonylethanamine
PubChem CID43829024
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name2-nonylsulfonylethanamine
SMILESCCCCCCCCCS(=O)(=O)CCN
InChIInChI=1S/C11H25NO2S/c1-2-3-4-5-6-7-8-10-15(13,14)11-9-12/h2-12H2,1H3
InChIKeyKDMCSIYSCSGPEC-UHFFFAOYSA-N
XLogP2.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-nonylsulfonylethanamine?
The IUPAC name of 2-nonylsulfonylethanamine (CID 43829024) is 2-nonylsulfonylethanamine.
What is the SMILES notation for 2-nonylsulfonylethanamine?
The canonical SMILES for 2-nonylsulfonylethanamine is CCCCCCCCCS(=O)(=O)CCN.
What is the InChIKey of 2-nonylsulfonylethanamine?
The InChIKey is KDMCSIYSCSGPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-2-3-4-5-6-7-8-10-15(13,14)11-9-12/h2-12H2,1H3.
What are the key properties of 2-nonylsulfonylethanamine?
2-nonylsulfonylethanamine has a molecular weight of 235.39 g/mol, XLogP of 2.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylsulfonylethanamine is sourced from PubChem (CID 43829024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).