1-(6-methoxy-5-piperidin-1-ylsulfonylnaphthalen-2-yl)sulfonylpiperidine

C21H28N2O5S2 — CID 1242000

IUPAC1-(6-methoxy-5-piperidin-1-ylsulfonylnaphthalen-2-yl)sulfonylpiperidine
SMILESCOc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H28N2O5S2/c1-28-20-11-8-17-16-18(29(24,25)22-12-4-2-5-13-22)9-10-19(17)21(20)30(26,27)23-14-6-3-7-15-23/h8-11,16H,2-7,12-15H2,1H3
InChIKeyMORCPLVPSLKXIF-UHFFFAOYSA-N
MW452.60 g/mol
LogP3.20
Rot. Bonds5

About 1-(6-methoxy-5-piperidin-1-ylsulfonylnaphthalen-2-yl)sulfonylpiperidine

1-(6-methoxy-5-piperidin-1-ylsulfonylnaphthalen-2-yl)sulfonylpiperidine (PubChem CID 1242000) has the molecular formula C21H28N2O5S2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 1-(6-methoxy-5-piperidin-1-ylsulfonylnaphthalen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(6-methoxy-5-piperidin-1-ylsulfonylnaphthalen-2-yl)sulfonylpiperidine
PubChem CID1242000
Molecular FormulaC21H28N2O5S2
Molecular Weight452.60 g/mol
Exact Mass452.14
IUPAC Name1-(6-methoxy-5-piperidin-1-ylsulfonylnaphthalen-2-yl)sulfonylpiperidine
SMILESCOc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H28N2O5S2/c1-28-20-11-8-17-16-18(29(24,25)22-12-4-2-5-13-22)9-10-19(17)21(20)30(26,27)23-14-6-3-7-15-23/h8-11,16H,2-7,12-15H2,1H3
InChIKeyMORCPLVPSLKXIF-UHFFFAOYSA-N
XLogP3.20
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-5-piperidin-1-ylsulfonylnaphthalen-2-yl)sulfonylpiperidine?
The IUPAC name of 1-(6-methoxy-5-piperidin-1-ylsulfonylnaphthalen-2-yl)sulfonylpiperidine (CID 1242000) is 1-(6-methoxy-5-piperidin-1-ylsulfonylnaphthalen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(6-methoxy-5-piperidin-1-ylsulfonylnaphthalen-2-yl)sulfonylpiperidine?
The canonical SMILES for 1-(6-methoxy-5-piperidin-1-ylsulfonylnaphthalen-2-yl)sulfonylpiperidine is COc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(6-methoxy-5-piperidin-1-ylsulfonylnaphthalen-2-yl)sulfonylpiperidine?
The InChIKey is MORCPLVPSLKXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S2/c1-28-20-11-8-17-16-18(29(24,25)22-12-4-2-5-13-22)9-10-19(17)21(20)30(26,27)23-14-6-3-7-15-23/h8-11,16H,2-7,12-15H2,1H3.
What are the key properties of 1-(6-methoxy-5-piperidin-1-ylsulfonylnaphthalen-2-yl)sulfonylpiperidine?
1-(6-methoxy-5-piperidin-1-ylsulfonylnaphthalen-2-yl)sulfonylpiperidine has a molecular weight of 452.60 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-5-piperidin-1-ylsulfonylnaphthalen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 1242000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).