4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

C15H21N3O4S2 — CID 129001065

IUPAC4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc(C2CN(S(=O)(=O)c3ccc(C(C)(C)C)s3)CCO2)o1
InChIInChI=1S/C15H21N3O4S2/c1-10-16-17-14(22-10)11-9-18(7-8-21-11)24(19,20)13-6-5-12(23-13)15(2,3)4/h5-6,11H,7-9H2,1-4H3
InChIKeyZPUGCADUZJVFAN-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.50
Rot. Bonds3

About 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 129001065) has the molecular formula C15H21N3O4S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID129001065
Molecular FormulaC15H21N3O4S2
Molecular Weight371.48 g/mol
Exact Mass371.10
IUPAC Name4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc(C2CN(S(=O)(=O)c3ccc(C(C)(C)C)s3)CCO2)o1
InChIInChI=1S/C15H21N3O4S2/c1-10-16-17-14(22-10)11-9-18(7-8-21-11)24(19,20)13-6-5-12(23-13)15(2,3)4/h5-6,11H,7-9H2,1-4H3
InChIKeyZPUGCADUZJVFAN-UHFFFAOYSA-N
XLogP2.50
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (CID 129001065) is 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is Cc1nnc(C2CN(S(=O)(=O)c3ccc(C(C)(C)C)s3)CCO2)o1.
What is the InChIKey of 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is ZPUGCADUZJVFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S2/c1-10-16-17-14(22-10)11-9-18(7-8-21-11)24(19,20)13-6-5-12(23-13)15(2,3)4/h5-6,11H,7-9H2,1-4H3.
What are the key properties of 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 371.48 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 129001065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).