7-(2-piperidin-1-ylsulfonylethyl)-7-azabicyclo[2.2.1]heptane

C13H24N2O2S — CID 91378593

IUPAC7-(2-piperidin-1-ylsulfonylethyl)-7-azabicyclo[2.2.1]heptane
SMILESO=S(=O)(CCN1C2CCC1CC2)N1CCCCC1
InChIInChI=1S/C13H24N2O2S/c16-18(17,14-8-2-1-3-9-14)11-10-15-12-4-5-13(15)7-6-12/h12-13H,1-11H2
InChIKeyQQDHDVSAKHKWKW-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.43
Rot. Bonds4

About 7-(2-piperidin-1-ylsulfonylethyl)-7-azabicyclo[2.2.1]heptane

7-(2-piperidin-1-ylsulfonylethyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 91378593) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 7-(2-piperidin-1-ylsulfonylethyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-(2-piperidin-1-ylsulfonylethyl)-7-azabicyclo[2.2.1]heptane
PubChem CID91378593
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name7-(2-piperidin-1-ylsulfonylethyl)-7-azabicyclo[2.2.1]heptane
SMILESO=S(=O)(CCN1C2CCC1CC2)N1CCCCC1
InChIInChI=1S/C13H24N2O2S/c16-18(17,14-8-2-1-3-9-14)11-10-15-12-4-5-13(15)7-6-12/h12-13H,1-11H2
InChIKeyQQDHDVSAKHKWKW-UHFFFAOYSA-N
XLogP1.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-piperidin-1-ylsulfonylethyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-(2-piperidin-1-ylsulfonylethyl)-7-azabicyclo[2.2.1]heptane (CID 91378593) is 7-(2-piperidin-1-ylsulfonylethyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-(2-piperidin-1-ylsulfonylethyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-(2-piperidin-1-ylsulfonylethyl)-7-azabicyclo[2.2.1]heptane is O=S(=O)(CCN1C2CCC1CC2)N1CCCCC1.
What is the InChIKey of 7-(2-piperidin-1-ylsulfonylethyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is QQDHDVSAKHKWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c16-18(17,14-8-2-1-3-9-14)11-10-15-12-4-5-13(15)7-6-12/h12-13H,1-11H2.
What are the key properties of 7-(2-piperidin-1-ylsulfonylethyl)-7-azabicyclo[2.2.1]heptane?
7-(2-piperidin-1-ylsulfonylethyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 272.41 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-piperidin-1-ylsulfonylethyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 91378593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).