3-piperidin-1-ylsulfonylaniline

C11H16N2O2S — CID 2794791

IUPAC3-piperidin-1-ylsulfonylaniline
SMILESNc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C11H16N2O2S/c12-10-5-4-6-11(9-10)16(14,15)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8,12H2
InChIKeyAHQOQYXOKZRRPJ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.44
Rot. Bonds2

About 3-piperidin-1-ylsulfonylaniline

3-piperidin-1-ylsulfonylaniline (PubChem CID 2794791) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonylaniline
PubChem CID2794791
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-piperidin-1-ylsulfonylaniline
SMILESNc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C11H16N2O2S/c12-10-5-4-6-11(9-10)16(14,15)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8,12H2
InChIKeyAHQOQYXOKZRRPJ-UHFFFAOYSA-N
XLogP1.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonylaniline?
The IUPAC name of 3-piperidin-1-ylsulfonylaniline (CID 2794791) is 3-piperidin-1-ylsulfonylaniline.
What is the SMILES notation for 3-piperidin-1-ylsulfonylaniline?
The canonical SMILES for 3-piperidin-1-ylsulfonylaniline is Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonylaniline?
The InChIKey is AHQOQYXOKZRRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-10-5-4-6-11(9-10)16(14,15)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8,12H2.
What are the key properties of 3-piperidin-1-ylsulfonylaniline?
3-piperidin-1-ylsulfonylaniline has a molecular weight of 240.33 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonylaniline is sourced from PubChem (CID 2794791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).