2-ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

C15H20N2O2S — CID 118738841

IUPAC2-ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCCCN2C(=O)c2ccsc2)CC1=O
InChIInChI=1S/C15H20N2O2S/c1-2-16-11-15(9-13(16)18)6-3-4-7-17(15)14(19)12-5-8-20-10-12/h5,8,10H,2-4,6-7,9,11H2,1H3
InChIKeyAOOCYBJLNHTIPE-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.37
Rot. Bonds2

About 2-ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

2-ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (PubChem CID 118738841) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
PubChem CID118738841
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCCCN2C(=O)c2ccsc2)CC1=O
InChIInChI=1S/C15H20N2O2S/c1-2-16-11-15(9-13(16)18)6-3-4-7-17(15)14(19)12-5-8-20-10-12/h5,8,10H,2-4,6-7,9,11H2,1H3
InChIKeyAOOCYBJLNHTIPE-UHFFFAOYSA-N
XLogP2.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,10S)-10-ethyl-1-methyl-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375550
(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375572
1-[(2S,3aR,7aS)-2-[(dimethylamino)methyl]-5-(thiophene-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]ethanone
CID 97460088
[(2S,3aR,7aS)-1-methyl-2-(pyrrolidin-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97460106
(1-Ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone
CID 97493554
N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
CID 97493601
N,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
CID 97493770
[(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875949
2-Methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738840
2-(Cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738844
1-Ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 118738961
2-(Cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118739680

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (CID 118738841) is 2-ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is CCN1CC2(CCCCN2C(=O)c2ccsc2)CC1=O.
What is the InChIKey of 2-ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The InChIKey is AOOCYBJLNHTIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-16-11-15(9-13(16)18)6-3-4-7-17(15)14(19)12-5-8-20-10-12/h5,8,10H,2-4,6-7,9,11H2,1H3.
What are the key properties of 2-ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
2-ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one has a molecular weight of 292.40 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 118738841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).