8-(2-piperidin-1-ylpropylsulfonyl)quinoline

C17H22N2O2S — CID 646121

IUPAC8-(2-piperidin-1-ylpropylsulfonyl)quinoline
SMILESCC(CS(=O)(=O)c1cccc2cccnc12)N1CCCCC1
InChIInChI=1S/C17H22N2O2S/c1-14(19-11-3-2-4-12-19)13-22(20,21)16-9-5-7-15-8-6-10-18-17(15)16/h5-10,14H,2-4,11-13H2,1H3
InChIKeyDNDGLAABZUMJHF-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.88
Rot. Bonds4

About 8-(2-piperidin-1-ylpropylsulfonyl)quinoline

8-(2-piperidin-1-ylpropylsulfonyl)quinoline (PubChem CID 646121) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 8-(2-piperidin-1-ylpropylsulfonyl)quinoline.

Molecular Properties

Compound Name8-(2-piperidin-1-ylpropylsulfonyl)quinoline
PubChem CID646121
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name8-(2-piperidin-1-ylpropylsulfonyl)quinoline
SMILESCC(CS(=O)(=O)c1cccc2cccnc12)N1CCCCC1
InChIInChI=1S/C17H22N2O2S/c1-14(19-11-3-2-4-12-19)13-22(20,21)16-9-5-7-15-8-6-10-18-17(15)16/h5-10,14H,2-4,11-13H2,1H3
InChIKeyDNDGLAABZUMJHF-UHFFFAOYSA-N
XLogP2.88
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-piperidin-1-ylpropylsulfonyl)quinoline?
The IUPAC name of 8-(2-piperidin-1-ylpropylsulfonyl)quinoline (CID 646121) is 8-(2-piperidin-1-ylpropylsulfonyl)quinoline.
What is the SMILES notation for 8-(2-piperidin-1-ylpropylsulfonyl)quinoline?
The canonical SMILES for 8-(2-piperidin-1-ylpropylsulfonyl)quinoline is CC(CS(=O)(=O)c1cccc2cccnc12)N1CCCCC1.
What is the InChIKey of 8-(2-piperidin-1-ylpropylsulfonyl)quinoline?
The InChIKey is DNDGLAABZUMJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-14(19-11-3-2-4-12-19)13-22(20,21)16-9-5-7-15-8-6-10-18-17(15)16/h5-10,14H,2-4,11-13H2,1H3.
What are the key properties of 8-(2-piperidin-1-ylpropylsulfonyl)quinoline?
8-(2-piperidin-1-ylpropylsulfonyl)quinoline has a molecular weight of 318.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-piperidin-1-ylpropylsulfonyl)quinoline is sourced from PubChem (CID 646121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).