4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride

C15H22ClN5O4S2 — CID 120960094

IUPAC4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride
SMILESCN1CCNCC1c1noc(-c2csc(S(=O)(=O)N3CCOCC3)c2)n1.Cl
InChIInChI=1S/C15H21N5O4S2.ClH/c1-19-3-2-16-9-12(19)14-17-15(24-18-14)11-8-13(25-10-11)26(21,22)20-4-6-23-7-5-20;/h8,10,12,16H,2-7,9H2,1H3;1H
InChIKeyXQSXSORRWAETFH-UHFFFAOYSA-N
MW435.96 g/mol
LogP0.82
Rot. Bonds4

About 4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride

4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride (PubChem CID 120960094) has the molecular formula C15H22ClN5O4S2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride.

Molecular Properties

Compound Name4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride
PubChem CID120960094
Molecular FormulaC15H22ClN5O4S2
Molecular Weight435.96 g/mol
Exact Mass435.08
IUPAC Name4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride
SMILESCN1CCNCC1c1noc(-c2csc(S(=O)(=O)N3CCOCC3)c2)n1.Cl
InChIInChI=1S/C15H21N5O4S2.ClH/c1-19-3-2-16-9-12(19)14-17-15(24-18-14)11-8-13(25-10-11)26(21,22)20-4-6-23-7-5-20;/h8,10,12,16H,2-7,9H2,1H3;1H
InChIKeyXQSXSORRWAETFH-UHFFFAOYSA-N
XLogP0.82
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride?
The IUPAC name of 4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride (CID 120960094) is 4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride.
What is the SMILES notation for 4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride?
The canonical SMILES for 4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride is CN1CCNCC1c1noc(-c2csc(S(=O)(=O)N3CCOCC3)c2)n1.Cl.
What is the InChIKey of 4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride?
The InChIKey is XQSXSORRWAETFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4S2.ClH/c1-19-3-2-16-9-12(19)14-17-15(24-18-14)11-8-13(25-10-11)26(21,22)20-4-6-23-7-5-20;/h8,10,12,16H,2-7,9H2,1H3;1H.
What are the key properties of 4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride?
4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride has a molecular weight of 435.96 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride is sourced from PubChem (CID 120960094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).