8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C18H23N3O5S — CID 46365792

IUPAC8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)no1
InChIInChI=1S/C18H23N3O5S/c1-3-16-19-17(20-26-16)14-5-4-13(2)15(12-14)27(22,23)21-8-6-18(7-9-21)24-10-11-25-18/h4-5,12H,3,6-11H2,1-2H3
InChIKeyBQGLAVNHGLJBNX-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.14
Rot. Bonds4

About 8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 46365792) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID46365792
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)no1
InChIInChI=1S/C18H23N3O5S/c1-3-16-19-17(20-26-16)14-5-4-13(2)15(12-14)27(22,23)21-8-6-18(7-9-21)24-10-11-25-18/h4-5,12H,3,6-11H2,1-2H3
InChIKeyBQGLAVNHGLJBNX-UHFFFAOYSA-N
XLogP2.14
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 20935529
3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
CID 53042681
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 46380439
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 46366026
N-benzyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
CID 46366042
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
CID 46365773
N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
CID 46365775
1-[8-(2,5-dimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 5174175
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide
CID 53042694
N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
CID 46365758
5-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 55735194
[3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
CID 53205049

Frequently Asked Questions

What is the IUPAC name of 8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 46365792) is 8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)no1.
What is the InChIKey of 8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is BQGLAVNHGLJBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-3-16-19-17(20-26-16)14-5-4-13(2)15(12-14)27(22,23)21-8-6-18(7-9-21)24-10-11-25-18/h4-5,12H,3,6-11H2,1-2H3.
What are the key properties of 8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 393.47 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 46365792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).