1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-thiophen-2-yloxan-4-yl)methanone

C17H23NO4S — CID 7243500

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-thiophen-2-yloxan-4-yl)methanone
SMILESO=C(N1CCC2(CC1)OCCO2)C1(c2cccs2)CCOCC1
InChIInChI=1S/C17H23NO4S/c19-15(18-7-3-17(4-8-18)21-11-12-22-17)16(5-9-20-10-6-16)14-2-1-13-23-14/h1-2,13H,3-12H2
InChIKeyPAXQMUHPHXIOIK-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.16
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-thiophen-2-yloxan-4-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-thiophen-2-yloxan-4-yl)methanone (PubChem CID 7243500) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-thiophen-2-yloxan-4-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-thiophen-2-yloxan-4-yl)methanone
PubChem CID7243500
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-thiophen-2-yloxan-4-yl)methanone
SMILESO=C(N1CCC2(CC1)OCCO2)C1(c2cccs2)CCOCC1
InChIInChI=1S/C17H23NO4S/c19-15(18-7-3-17(4-8-18)21-11-12-22-17)16(5-9-20-10-6-16)14-2-1-13-23-14/h1-2,13H,3-12H2
InChIKeyPAXQMUHPHXIOIK-UHFFFAOYSA-N
XLogP2.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-thiophen-2-yloxan-4-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-thiophen-2-yloxan-4-yl)methanone (CID 7243500) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-thiophen-2-yloxan-4-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-thiophen-2-yloxan-4-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-thiophen-2-yloxan-4-yl)methanone is O=C(N1CCC2(CC1)OCCO2)C1(c2cccs2)CCOCC1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-thiophen-2-yloxan-4-yl)methanone?
The InChIKey is PAXQMUHPHXIOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4S/c19-15(18-7-3-17(4-8-18)21-11-12-22-17)16(5-9-20-10-6-16)14-2-1-13-23-14/h1-2,13H,3-12H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-thiophen-2-yloxan-4-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-thiophen-2-yloxan-4-yl)methanone has a molecular weight of 337.44 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-thiophen-2-yloxan-4-yl)methanone is sourced from PubChem (CID 7243500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).