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

C13H17NO2S2 — CID 56764618

IUPAC1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C13H17NO2S2/c15-12(10-11-2-1-8-17-11)14-5-3-13(4-6-14)16-7-9-18-13/h1-2,8H,3-7,9-10H2
InChIKeyKGPIXXSJTIEETB-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-2-ylethanone

1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone (PubChem CID 56764618) 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-2-ylethanone.

Molecular Properties

Compound Name1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone
PubChem CID56764618
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-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C13H17NO2S2/c15-12(10-11-2-1-8-17-11)14-5-3-13(4-6-14)16-7-9-18-13/h1-2,8H,3-7,9-10H2
InChIKeyKGPIXXSJTIEETB-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-(1-Oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid ethyl ester
CID 670001
1-(Tetrahydro-2-furanylcarbonyl)-4-(2-thienylacetyl)piperazine
CID 2971550
Morpholine, 4-(2-thienylacetyl)-
CID 531781
N-[2-(morpholin-4-yl)ethyl]-2-(thiophen-2-yl)acetamide
CID 670829
8-(2-Thienylacetyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 1245100
N-(3-Butoxypropyl)-2-(2-thienyl)acetamide
CID 2162137
N-butyl-N-ethyl-2-(2-thienyl)acetamide
CID 2166904
2-Thiopheneacetamide, N,N-dibutyl-
CID 532844
Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 762661
N-(3-ethoxypropyl)-2-(2-thienyl)acetamide
CID 3668870
1-[3-(Hydroxymethyl)morpholin-4-yl]-2-(thiophen-2-yl)ethan-1-one
CID 71785819
N-(tetrahydro-2H-pyran-4-yl)-2-(thiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71796112

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone (CID 56764618) is 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC2(CC1)OCCS2.
What is the InChIKey of 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone?
The InChIKey is KGPIXXSJTIEETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S2/c15-12(10-11-2-1-8-17-11)14-5-3-13(4-6-14)16-7-9-18-13/h1-2,8H,3-7,9-10H2.
What are the key properties of 1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-ylethanone?
1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-thiophen-2-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-2-ylethanone is sourced from PubChem (CID 56764618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).