7-(3-piperidin-1-ylsulfonylpropyl)-7-azabicyclo[2.2.1]heptane

C14H26N2O2S — CID 91341395

IUPAC7-(3-piperidin-1-ylsulfonylpropyl)-7-azabicyclo[2.2.1]heptane
SMILESO=S(=O)(CCCN1C2CCC1CC2)N1CCCCC1
InChIInChI=1S/C14H26N2O2S/c17-19(18,15-9-2-1-3-10-15)12-4-11-16-13-5-6-14(16)8-7-13/h13-14H,1-12H2
InChIKeyJCOKMGWTXXVTNU-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.82
Rot. Bonds5

About 7-(3-piperidin-1-ylsulfonylpropyl)-7-azabicyclo[2.2.1]heptane

7-(3-piperidin-1-ylsulfonylpropyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 91341395) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 7-(3-piperidin-1-ylsulfonylpropyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-(3-piperidin-1-ylsulfonylpropyl)-7-azabicyclo[2.2.1]heptane
PubChem CID91341395
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name7-(3-piperidin-1-ylsulfonylpropyl)-7-azabicyclo[2.2.1]heptane
SMILESO=S(=O)(CCCN1C2CCC1CC2)N1CCCCC1
InChIInChI=1S/C14H26N2O2S/c17-19(18,15-9-2-1-3-10-15)12-4-11-16-13-5-6-14(16)8-7-13/h13-14H,1-12H2
InChIKeyJCOKMGWTXXVTNU-UHFFFAOYSA-N
XLogP1.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-piperidin-1-ylsulfonylpropyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-(3-piperidin-1-ylsulfonylpropyl)-7-azabicyclo[2.2.1]heptane (CID 91341395) is 7-(3-piperidin-1-ylsulfonylpropyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-(3-piperidin-1-ylsulfonylpropyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-(3-piperidin-1-ylsulfonylpropyl)-7-azabicyclo[2.2.1]heptane is O=S(=O)(CCCN1C2CCC1CC2)N1CCCCC1.
What is the InChIKey of 7-(3-piperidin-1-ylsulfonylpropyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is JCOKMGWTXXVTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c17-19(18,15-9-2-1-3-10-15)12-4-11-16-13-5-6-14(16)8-7-13/h13-14H,1-12H2.
What are the key properties of 7-(3-piperidin-1-ylsulfonylpropyl)-7-azabicyclo[2.2.1]heptane?
7-(3-piperidin-1-ylsulfonylpropyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 286.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-piperidin-1-ylsulfonylpropyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 91341395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).