1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine

C15H22N4O3S — CID 75382838

IUPAC1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C15H22N4O3S/c1-3-18(4-2)12-8-10-19(11-9-12)23(20,21)14-7-5-6-13-15(14)17-22-16-13/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyPRRIYLIGAOXANY-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.72
Rot. Bonds5

About 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine

1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine (PubChem CID 75382838) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine
PubChem CID75382838
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C15H22N4O3S/c1-3-18(4-2)12-8-10-19(11-9-12)23(20,21)14-7-5-6-13-15(14)17-22-16-13/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyPRRIYLIGAOXANY-UHFFFAOYSA-N
XLogP1.72
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine?
The IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine (CID 75382838) is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine is CCN(CC)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine?
The InChIKey is PRRIYLIGAOXANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-3-18(4-2)12-8-10-19(11-9-12)23(20,21)14-7-5-6-13-15(14)17-22-16-13/h5-7,12H,3-4,8-11H2,1-2H3.
What are the key properties of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine?
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine has a molecular weight of 338.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine is sourced from PubChem (CID 75382838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).