2-(ethylamino)piperidine-1-sulfonic acid

C7H16N2O3S — CID 159322106

IUPAC2-(ethylamino)piperidine-1-sulfonic acid
SMILESCCNC1CCCCN1S(=O)(=O)O
InChIInChI=1S/C7H16N2O3S/c1-2-8-7-5-3-4-6-9(7)13(10,11)12/h7-8H,2-6H2,1H3,(H,10,11,12)
InChIKeyAZBFHODTDNWUSO-UHFFFAOYSA-N
MW208.28 g/mol
LogP0.21
Rot. Bonds3

About 2-(ethylamino)piperidine-1-sulfonic acid

2-(ethylamino)piperidine-1-sulfonic acid (PubChem CID 159322106) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(ethylamino)piperidine-1-sulfonic acid.

Molecular Properties

Compound Name2-(ethylamino)piperidine-1-sulfonic acid
PubChem CID159322106
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-(ethylamino)piperidine-1-sulfonic acid
SMILESCCNC1CCCCN1S(=O)(=O)O
InChIInChI=1S/C7H16N2O3S/c1-2-8-7-5-3-4-6-9(7)13(10,11)12/h7-8H,2-6H2,1H3,(H,10,11,12)
InChIKeyAZBFHODTDNWUSO-UHFFFAOYSA-N
XLogP0.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-(ethylamino)piperidine-1-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)piperidine-1-sulfonic acid?
The IUPAC name of 2-(ethylamino)piperidine-1-sulfonic acid (CID 159322106) is 2-(ethylamino)piperidine-1-sulfonic acid.
What is the SMILES notation for 2-(ethylamino)piperidine-1-sulfonic acid?
The canonical SMILES for 2-(ethylamino)piperidine-1-sulfonic acid is CCNC1CCCCN1S(=O)(=O)O.
What is the InChIKey of 2-(ethylamino)piperidine-1-sulfonic acid?
The InChIKey is AZBFHODTDNWUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-2-8-7-5-3-4-6-9(7)13(10,11)12/h7-8H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 2-(ethylamino)piperidine-1-sulfonic acid?
2-(ethylamino)piperidine-1-sulfonic acid has a molecular weight of 208.28 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)piperidine-1-sulfonic acid is sourced from PubChem (CID 159322106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).