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

C18H23N3O5S2 — CID 53104815

IUPAC8-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1cc(-c2noc(C3CCCC3)n2)cs1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H23N3O5S2/c22-28(23,21-7-5-18(6-8-21)24-9-10-25-18)15-11-14(12-27-15)16-19-17(26-20-16)13-3-1-2-4-13/h11-13H,1-10H2
InChIKeyLWCZOBKNHCVWPL-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.98
Rot. Bonds4

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

8-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 53104815) has the molecular formula C18H23N3O5S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 8-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID53104815
Molecular FormulaC18H23N3O5S2
Molecular Weight425.53 g/mol
Exact Mass425.11
IUPAC Name8-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1cc(-c2noc(C3CCCC3)n2)cs1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H23N3O5S2/c22-28(23,21-7-5-18(6-8-21)24-9-10-25-18)15-11-14(12-27-15)16-19-17(26-20-16)13-3-1-2-4-13/h11-13H,1-10H2
InChIKeyLWCZOBKNHCVWPL-UHFFFAOYSA-N
XLogP2.98
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53114356
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-cyclopentylthiophene-2-sulfonamide
CID 53042743
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 53104824
[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 53042892
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one
CID 71843413
(E)-1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 53104828
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53043055
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53043034
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 53042904
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 53043061
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylbutan-2-yl)piperidine-3-carboxamide
CID 50829077
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 53042877

Frequently Asked Questions

What is the IUPAC name of 8-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 53104815) is 8-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(c1cc(-c2noc(C3CCCC3)n2)cs1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is LWCZOBKNHCVWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S2/c22-28(23,21-7-5-18(6-8-21)24-9-10-25-18)15-11-14(12-27-15)16-19-17(26-20-16)13-3-1-2-4-13/h11-13H,1-10H2.
What are the key properties of 8-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 425.53 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 53104815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).