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

C13H17NO3S — CID 1245100

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H17NO3S/c15-12(10-11-2-1-9-18-11)14-5-3-13(4-6-14)16-7-8-17-13/h1-2,9H,3-8,10H2
InChIKeyUFMLBKPPNLKNKR-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.66
Rot. Bonds2

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

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone (PubChem CID 1245100) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone
PubChem CID1245100
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H17NO3S/c15-12(10-11-2-1-9-18-11)14-5-3-13(4-6-14)16-7-8-17-13/h1-2,9H,3-8,10H2
InChIKeyUFMLBKPPNLKNKR-UHFFFAOYSA-N
XLogP1.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Morpholine, 4-(2-thienylacetyl)-
CID 531781
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(5-methylthiophen-3-yl)methanone
CID 1246558
8-[(Phenylthio)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 1247113
Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 762661
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone
CID 35436332
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl(thiophen-2-yl)methanone
CID 735889
1-(1-Oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(thiophen-2-yl)ethanone
CID 56764618
1-[4-(2-Methoxyethoxy)piperidino]-2-(2-thienyl)-1-ethanone
CID 91918252
1-(3,5-Dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 71683936
1-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 164633197
1-(2,6-Dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 2905208
8-{[4-(2-thienyl)tetrahydro-2H-pyran-4-yl]carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 7243500

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone (CID 1245100) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone?
The InChIKey is UFMLBKPPNLKNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-12(10-11-2-1-9-18-11)14-5-3-13(4-6-14)16-7-8-17-13/h1-2,9H,3-8,10H2.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone has a molecular weight of 267.35 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 1245100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).