1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-3-ylethanone

C13H17NO2S2 — CID 71806922

IUPAC1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C13H17NO2S2/c15-12(9-11-1-7-17-10-11)14-4-2-13(3-5-14)16-6-8-18-13/h1,7,10H,2-6,8-9H2
InChIKeyZSOAJTVIAZSYCJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.37
Rot. Bonds2

About 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-3-ylethanone

1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-3-ylethanone (PubChem CID 71806922) has the molecular formula C13H17NO2S2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-3-ylethanone
PubChem CID71806922
Molecular FormulaC13H17NO2S2
Molecular Weight283.42 g/mol
Exact Mass283.07
IUPAC Name1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C13H17NO2S2/c15-12(9-11-1-7-17-10-11)14-4-2-13(3-5-14)16-6-8-18-13/h1,7,10H,2-6,8-9H2
InChIKeyZSOAJTVIAZSYCJ-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Thiophen-3-ylacetyl)piperidine-4-carboxamide
CID 24685250
Ethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate
CID 2123310
N-Methyl-N-[(oxan-4-YL)methyl]-2-(thiophen-3-YL)acetamide
CID 91914991
1-[(4aR,7aS)-4-propan-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-thiophen-3-ylethanone
CID 97508940
1-[9-(Oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
CID 118739157
1-Piperidin-1-yl-3-thiophen-3-ylpropan-1-one
CID 39958563
1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one
CID 40137163
1-Morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one
CID 2739806
1-[4-(2-Methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 53150814
1-(1-Oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(thiophen-2-yl)ethanone
CID 56764618
1-(3-(Cyclopropylmethoxy)pyrrolidin-1-yl)-2-(thiophen-3-yl)ethanone
CID 121197565
1-(2-Methylmorpholin-4-yl)-2-thiophen-3-ylethanone
CID 42938372

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-3-ylethanone (CID 71806922) is 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC2(CC1)OCCS2.
What is the InChIKey of 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-3-ylethanone?
The InChIKey is ZSOAJTVIAZSYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S2/c15-12(9-11-1-7-17-10-11)14-4-2-13(3-5-14)16-6-8-18-13/h1,7,10H,2-6,8-9H2.
What are the key properties of 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-3-ylethanone?
1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-3-ylethanone has a molecular weight of 283.42 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 71806922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).