4-(2-methylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole

C12H15N3O3S — CID 2842395

IUPAC4-(2-methylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole
SMILESCC1CCCCN1S(=O)(=O)c1cccc2nonc12
InChIInChI=1S/C12H15N3O3S/c1-9-5-2-3-8-15(9)19(16,17)11-7-4-6-10-12(11)14-18-13-10/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyUYQWJNCUXGQBIO-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.79
Rot. Bonds2

About 4-(2-methylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole

4-(2-methylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole (PubChem CID 2842395) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole
PubChem CID2842395
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-(2-methylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole
SMILESCC1CCCCN1S(=O)(=O)c1cccc2nonc12
InChIInChI=1S/C12H15N3O3S/c1-9-5-2-3-8-15(9)19(16,17)11-7-4-6-10-12(11)14-18-13-10/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyUYQWJNCUXGQBIO-UHFFFAOYSA-N
XLogP1.79
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Piperazine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 931485
N,N-Diethyl-1-hydroxy-1H-benzotriazole-6-sulfonamide
CID 2478577
4-(Piperidine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 558425
4-(1-Azepanylsulfonyl)-2,1,3-benzoxadiazole
CID 712284
4-[(3-Methylpiperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole
CID 2842396
N-(2,5-difluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 6465235
N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 692311
4-[(4-Methylpiperazinyl)sulfonyl]benzo[c]1,2,5-thiadiazole
CID 757158
4-Piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole
CID 757177
4-{[3-(2-Methylpiperidin-1-yl)-3-oxopropyl]sulfonyl}-2,1,3-benzoxadiazole
CID 4983333
N-[2-(methylsulfanyl)phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 6468224
N,N-Dimethyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 541928

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole (CID 2842395) is 4-(2-methylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole is CC1CCCCN1S(=O)(=O)c1cccc2nonc12.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The InChIKey is UYQWJNCUXGQBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9-5-2-3-8-15(9)19(16,17)11-7-4-6-10-12(11)14-18-13-10/h4,6-7,9H,2-3,5,8H2,1H3.
What are the key properties of 4-(2-methylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole?
4-(2-methylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole has a molecular weight of 281.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 2842395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).