4-[2-[4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]ethyl]morpholine

C17H24N4O4S2 — CID 21039559

IUPAC4-[2-[4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]ethyl]morpholine
SMILESO=S(=O)(c1ccc(-c2ccno2)s1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C17H24N4O4S2/c22-27(23,17-2-1-16(26-17)15-3-4-18-25-15)21-9-7-19(8-10-21)5-6-20-11-13-24-14-12-20/h1-4H,5-14H2
InChIKeyCQHDZXXWTOPAQL-UHFFFAOYSA-N
MW412.54 g/mol
LogP1.04
Rot. Bonds6

About 4-[2-[4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]ethyl]morpholine

4-[2-[4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]ethyl]morpholine (PubChem CID 21039559) has the molecular formula C17H24N4O4S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 4-[2-[4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]ethyl]morpholine
PubChem CID21039559
Molecular FormulaC17H24N4O4S2
Molecular Weight412.54 g/mol
Exact Mass412.12
IUPAC Name4-[2-[4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]ethyl]morpholine
SMILESO=S(=O)(c1ccc(-c2ccno2)s1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C17H24N4O4S2/c22-27(23,17-2-1-16(26-17)15-3-4-18-25-15)21-9-7-19(8-10-21)5-6-20-11-13-24-14-12-20/h1-4H,5-14H2
InChIKeyCQHDZXXWTOPAQL-UHFFFAOYSA-N
XLogP1.04
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]ethyl]morpholine (CID 21039559) is 4-[2-[4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]ethyl]morpholine is O=S(=O)(c1ccc(-c2ccno2)s1)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of 4-[2-[4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]ethyl]morpholine?
The InChIKey is CQHDZXXWTOPAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S2/c22-27(23,17-2-1-16(26-17)15-3-4-18-25-15)21-9-7-19(8-10-21)5-6-20-11-13-24-14-12-20/h1-4H,5-14H2.
What are the key properties of 4-[2-[4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]ethyl]morpholine?
4-[2-[4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]ethyl]morpholine has a molecular weight of 412.54 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]ethyl]morpholine is sourced from PubChem (CID 21039559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).