7-piperidin-1-yl-4-piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole

C16H22N4O3S — CID 17285093

IUPAC7-piperidin-1-yl-4-piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole
SMILESO=S(=O)(c1ccc(N2CCCCC2)c2nonc12)N1CCCCC1
InChIInChI=1S/C16H22N4O3S/c21-24(22,20-11-5-2-6-12-20)14-8-7-13(15-16(14)18-23-17-15)19-9-3-1-4-10-19/h7-8H,1-6,9-12H2
InChIKeyAXOPKBLDCWWYIC-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.39
Rot. Bonds3

About 7-piperidin-1-yl-4-piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole

7-piperidin-1-yl-4-piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole (PubChem CID 17285093) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 7-piperidin-1-yl-4-piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name7-piperidin-1-yl-4-piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole
PubChem CID17285093
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name7-piperidin-1-yl-4-piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole
SMILESO=S(=O)(c1ccc(N2CCCCC2)c2nonc12)N1CCCCC1
InChIInChI=1S/C16H22N4O3S/c21-24(22,20-11-5-2-6-12-20)14-8-7-13(15-16(14)18-23-17-15)19-9-3-1-4-10-19/h7-8H,1-6,9-12H2
InChIKeyAXOPKBLDCWWYIC-UHFFFAOYSA-N
XLogP2.39
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-1-yl-4-piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole?
The IUPAC name of 7-piperidin-1-yl-4-piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole (CID 17285093) is 7-piperidin-1-yl-4-piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 7-piperidin-1-yl-4-piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole?
The canonical SMILES for 7-piperidin-1-yl-4-piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole is O=S(=O)(c1ccc(N2CCCCC2)c2nonc12)N1CCCCC1.
What is the InChIKey of 7-piperidin-1-yl-4-piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole?
The InChIKey is AXOPKBLDCWWYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c21-24(22,20-11-5-2-6-12-20)14-8-7-13(15-16(14)18-23-17-15)19-9-3-1-4-10-19/h7-8H,1-6,9-12H2.
What are the key properties of 7-piperidin-1-yl-4-piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole?
7-piperidin-1-yl-4-piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole has a molecular weight of 350.44 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-1-yl-4-piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 17285093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).