1-[3-(benzenesulfonyl)-2-piperidin-1-ylpropyl]piperidine

C19H30N2O2S — CID 3150672

IUPAC1-[3-(benzenesulfonyl)-2-piperidin-1-ylpropyl]piperidine
SMILESO=S(=O)(CC(CN1CCCCC1)N1CCCCC1)c1ccccc1
InChIInChI=1S/C19H30N2O2S/c22-24(23,19-10-4-1-5-11-19)17-18(21-14-8-3-9-15-21)16-20-12-6-2-7-13-20/h1,4-5,10-11,18H,2-3,6-9,12-17H2
InChIKeyFRIIXXSFULMALB-UHFFFAOYSA-N
MW350.53 g/mol
LogP2.80
Rot. Bonds6

About 1-[3-(benzenesulfonyl)-2-piperidin-1-ylpropyl]piperidine

1-[3-(benzenesulfonyl)-2-piperidin-1-ylpropyl]piperidine (PubChem CID 3150672) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 1-[3-(benzenesulfonyl)-2-piperidin-1-ylpropyl]piperidine.

Molecular Properties

Compound Name1-[3-(benzenesulfonyl)-2-piperidin-1-ylpropyl]piperidine
PubChem CID3150672
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name1-[3-(benzenesulfonyl)-2-piperidin-1-ylpropyl]piperidine
SMILESO=S(=O)(CC(CN1CCCCC1)N1CCCCC1)c1ccccc1
InChIInChI=1S/C19H30N2O2S/c22-24(23,19-10-4-1-5-11-19)17-18(21-14-8-3-9-15-21)16-20-12-6-2-7-13-20/h1,4-5,10-11,18H,2-3,6-9,12-17H2
InChIKeyFRIIXXSFULMALB-UHFFFAOYSA-N
XLogP2.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonyl)-2-piperidin-1-ylpropyl]piperidine?
The IUPAC name of 1-[3-(benzenesulfonyl)-2-piperidin-1-ylpropyl]piperidine (CID 3150672) is 1-[3-(benzenesulfonyl)-2-piperidin-1-ylpropyl]piperidine.
What is the SMILES notation for 1-[3-(benzenesulfonyl)-2-piperidin-1-ylpropyl]piperidine?
The canonical SMILES for 1-[3-(benzenesulfonyl)-2-piperidin-1-ylpropyl]piperidine is O=S(=O)(CC(CN1CCCCC1)N1CCCCC1)c1ccccc1.
What is the InChIKey of 1-[3-(benzenesulfonyl)-2-piperidin-1-ylpropyl]piperidine?
The InChIKey is FRIIXXSFULMALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c22-24(23,19-10-4-1-5-11-19)17-18(21-14-8-3-9-15-21)16-20-12-6-2-7-13-20/h1,4-5,10-11,18H,2-3,6-9,12-17H2.
What are the key properties of 1-[3-(benzenesulfonyl)-2-piperidin-1-ylpropyl]piperidine?
1-[3-(benzenesulfonyl)-2-piperidin-1-ylpropyl]piperidine has a molecular weight of 350.53 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonyl)-2-piperidin-1-ylpropyl]piperidine is sourced from PubChem (CID 3150672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).