2-piperidin-1-yl-5-piperidin-1-ylsulfonylaniline

C16H25N3O2S — CID 3767016

IUPAC2-piperidin-1-yl-5-piperidin-1-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1
InChIInChI=1S/C16H25N3O2S/c17-15-13-14(22(20,21)19-11-5-2-6-12-19)7-8-16(15)18-9-3-1-4-10-18/h7-8,13H,1-6,9-12,17H2
InChIKeyWXYOQQXFTYACAD-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.43
Rot. Bonds3

About 2-piperidin-1-yl-5-piperidin-1-ylsulfonylaniline

2-piperidin-1-yl-5-piperidin-1-ylsulfonylaniline (PubChem CID 3767016) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-piperidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name2-piperidin-1-yl-5-piperidin-1-ylsulfonylaniline
PubChem CID3767016
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name2-piperidin-1-yl-5-piperidin-1-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1
InChIInChI=1S/C16H25N3O2S/c17-15-13-14(22(20,21)19-11-5-2-6-12-19)7-8-16(15)18-9-3-1-4-10-18/h7-8,13H,1-6,9-12,17H2
InChIKeyWXYOQQXFTYACAD-UHFFFAOYSA-N
XLogP2.43
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-piperidin-1-ylsulfonylaniline?
The IUPAC name of 2-piperidin-1-yl-5-piperidin-1-ylsulfonylaniline (CID 3767016) is 2-piperidin-1-yl-5-piperidin-1-ylsulfonylaniline.
What is the SMILES notation for 2-piperidin-1-yl-5-piperidin-1-ylsulfonylaniline?
The canonical SMILES for 2-piperidin-1-yl-5-piperidin-1-ylsulfonylaniline is Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-5-piperidin-1-ylsulfonylaniline?
The InChIKey is WXYOQQXFTYACAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c17-15-13-14(22(20,21)19-11-5-2-6-12-19)7-8-16(15)18-9-3-1-4-10-18/h7-8,13H,1-6,9-12,17H2.
What are the key properties of 2-piperidin-1-yl-5-piperidin-1-ylsulfonylaniline?
2-piperidin-1-yl-5-piperidin-1-ylsulfonylaniline has a molecular weight of 323.46 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-piperidin-1-ylsulfonylaniline is sourced from PubChem (CID 3767016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).