2-(3-ethoxypropylsulfonyl)-N-methylethanamine

C8H19NO3S — CID 126620189

IUPAC2-(3-ethoxypropylsulfonyl)-N-methylethanamine
SMILESCCOCCCS(=O)(=O)CCNC
InChIInChI=1S/C8H19NO3S/c1-3-12-6-4-7-13(10,11)8-5-9-2/h9H,3-8H2,1-2H3
InChIKeyFMDPJXJIHPWLNX-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.05
Rot. Bonds8

About 2-(3-ethoxypropylsulfonyl)-N-methylethanamine

2-(3-ethoxypropylsulfonyl)-N-methylethanamine (PubChem CID 126620189) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(3-ethoxypropylsulfonyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-ethoxypropylsulfonyl)-N-methylethanamine
PubChem CID126620189
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name2-(3-ethoxypropylsulfonyl)-N-methylethanamine
SMILESCCOCCCS(=O)(=O)CCNC
InChIInChI=1S/C8H19NO3S/c1-3-12-6-4-7-13(10,11)8-5-9-2/h9H,3-8H2,1-2H3
InChIKeyFMDPJXJIHPWLNX-UHFFFAOYSA-N
XLogP0.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.05
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 2-(3-ethoxypropylsulfonyl)-N-methylethanamine?
The IUPAC name of 2-(3-ethoxypropylsulfonyl)-N-methylethanamine (CID 126620189) is 2-(3-ethoxypropylsulfonyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-ethoxypropylsulfonyl)-N-methylethanamine?
The canonical SMILES for 2-(3-ethoxypropylsulfonyl)-N-methylethanamine is CCOCCCS(=O)(=O)CCNC.
What is the InChIKey of 2-(3-ethoxypropylsulfonyl)-N-methylethanamine?
The InChIKey is FMDPJXJIHPWLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-3-12-6-4-7-13(10,11)8-5-9-2/h9H,3-8H2,1-2H3.
What are the key properties of 2-(3-ethoxypropylsulfonyl)-N-methylethanamine?
2-(3-ethoxypropylsulfonyl)-N-methylethanamine has a molecular weight of 209.31 g/mol, XLogP of 0.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylsulfonyl)-N-methylethanamine is sourced from PubChem (CID 126620189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).