4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide

C12H22N6O3S — CID 120957246

IUPAC4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
SMILESCN1CCNCC1c1noc(C2CCN(S(N)(=O)=O)CC2)n1
InChIInChI=1S/C12H22N6O3S/c1-17-7-4-14-8-10(17)11-15-12(21-16-11)9-2-5-18(6-3-9)22(13,19)20/h9-10,14H,2-8H2,1H3,(H2,13,19,20)
InChIKeyRODMLNWYAHVKNH-UHFFFAOYSA-N
MW330.41 g/mol
LogP-0.97
Rot. Bonds3

About 4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide

4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide (PubChem CID 120957246) has the molecular formula C12H22N6O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
PubChem CID120957246
Molecular FormulaC12H22N6O3S
Molecular Weight330.41 g/mol
Exact Mass330.15
IUPAC Name4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
SMILESCN1CCNCC1c1noc(C2CCN(S(N)(=O)=O)CC2)n1
InChIInChI=1S/C12H22N6O3S/c1-17-7-4-14-8-10(17)11-15-12(21-16-11)9-2-5-18(6-3-9)22(13,19)20/h9-10,14H,2-8H2,1H3,(H2,13,19,20)
InChIKeyRODMLNWYAHVKNH-UHFFFAOYSA-N
XLogP-0.97
TPSA117.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957247
3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120960065
3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
CID 120958493
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 120958246
(4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 120960207
5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077864
1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 120956441
5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077005
3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958632
3-(1-methylpiperazin-2-yl)-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957013
cyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone
CID 120959261
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide?
The IUPAC name of 4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide (CID 120957246) is 4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide?
The canonical SMILES for 4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide is CN1CCNCC1c1noc(C2CCN(S(N)(=O)=O)CC2)n1.
What is the InChIKey of 4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide?
The InChIKey is RODMLNWYAHVKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O3S/c1-17-7-4-14-8-10(17)11-15-12(21-16-11)9-2-5-18(6-3-9)22(13,19)20/h9-10,14H,2-8H2,1H3,(H2,13,19,20).
What are the key properties of 4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide?
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 120957246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).