1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxythiophen-2-yl)methanone

C13H17NO4S — CID 78945530

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H17NO4S/c1-16-10-2-9-19-11(10)12(15)14-5-3-13(4-6-14)17-7-8-18-13/h2,9H,3-8H2,1H3
InChIKeyMEHLFGXJCFGBPJ-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.74
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxythiophen-2-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxythiophen-2-yl)methanone (PubChem CID 78945530) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxythiophen-2-yl)methanone
PubChem CID78945530
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H17NO4S/c1-16-10-2-9-19-11(10)12(15)14-5-3-13(4-6-14)17-7-8-18-13/h2,9H,3-8H2,1H3
InChIKeyMEHLFGXJCFGBPJ-UHFFFAOYSA-N
XLogP1.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.74
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-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxythiophen-2-yl)methanone (CID 78945530) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxythiophen-2-yl)methanone?
The InChIKey is MEHLFGXJCFGBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-16-10-2-9-19-11(10)12(15)14-5-3-13(4-6-14)17-7-8-18-13/h2,9H,3-8H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxythiophen-2-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxythiophen-2-yl)methanone has a molecular weight of 283.35 g/mol, XLogP of 1.74, 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-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 78945530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).