1-(naphthalen-2-ylsulfonylmethyl)-4-piperidin-4-ylpiperidine

C21H28N2O2S — CID 59424727

IUPAC1-(naphthalen-2-ylsulfonylmethyl)-4-piperidin-4-ylpiperidine
SMILESO=S(=O)(CN1CCC(C2CCNCC2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H28N2O2S/c24-26(25,21-6-5-17-3-1-2-4-20(17)15-21)16-23-13-9-19(10-14-23)18-7-11-22-12-8-18/h1-6,15,18-19,22H,7-14,16H2
InChIKeyDOVORXKRBRRVPQ-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.28
Rot. Bonds4

About 1-(naphthalen-2-ylsulfonylmethyl)-4-piperidin-4-ylpiperidine

1-(naphthalen-2-ylsulfonylmethyl)-4-piperidin-4-ylpiperidine (PubChem CID 59424727) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-(naphthalen-2-ylsulfonylmethyl)-4-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name1-(naphthalen-2-ylsulfonylmethyl)-4-piperidin-4-ylpiperidine
PubChem CID59424727
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name1-(naphthalen-2-ylsulfonylmethyl)-4-piperidin-4-ylpiperidine
SMILESO=S(=O)(CN1CCC(C2CCNCC2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H28N2O2S/c24-26(25,21-6-5-17-3-1-2-4-20(17)15-21)16-23-13-9-19(10-14-23)18-7-11-22-12-8-18/h1-6,15,18-19,22H,7-14,16H2
InChIKeyDOVORXKRBRRVPQ-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylsulfonylmethyl)-4-piperidin-4-ylpiperidine?
The IUPAC name of 1-(naphthalen-2-ylsulfonylmethyl)-4-piperidin-4-ylpiperidine (CID 59424727) is 1-(naphthalen-2-ylsulfonylmethyl)-4-piperidin-4-ylpiperidine.
What is the SMILES notation for 1-(naphthalen-2-ylsulfonylmethyl)-4-piperidin-4-ylpiperidine?
The canonical SMILES for 1-(naphthalen-2-ylsulfonylmethyl)-4-piperidin-4-ylpiperidine is O=S(=O)(CN1CCC(C2CCNCC2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-(naphthalen-2-ylsulfonylmethyl)-4-piperidin-4-ylpiperidine?
The InChIKey is DOVORXKRBRRVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c24-26(25,21-6-5-17-3-1-2-4-20(17)15-21)16-23-13-9-19(10-14-23)18-7-11-22-12-8-18/h1-6,15,18-19,22H,7-14,16H2.
What are the key properties of 1-(naphthalen-2-ylsulfonylmethyl)-4-piperidin-4-ylpiperidine?
1-(naphthalen-2-ylsulfonylmethyl)-4-piperidin-4-ylpiperidine has a molecular weight of 372.53 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylsulfonylmethyl)-4-piperidin-4-ylpiperidine is sourced from PubChem (CID 59424727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).