2-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

C16H24N2O2S — CID 97370185

IUPAC2-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCN(Cc3cccs3)CC2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-20-11-10-18-9-6-16(15(18)19)4-7-17(8-5-16)13-14-3-2-12-21-14/h2-3,12H,4-11,13H2,1H3
InChIKeyONFYDSVWJLYUAB-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.21
Rot. Bonds5

About 2-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

2-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370185) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97370185
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCN(Cc3cccs3)CC2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-20-11-10-18-9-6-16(15(18)19)4-7-17(8-5-16)13-14-3-2-12-21-14/h2-3,12H,4-11,13H2,1H3
InChIKeyONFYDSVWJLYUAB-UHFFFAOYSA-N
XLogP2.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Morpholinocarbonyl)-1-(2-thienylmethyl)-2-pyrrolidinone
CID 4639573
Cambridge id 6579821
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1-Morpholin-4-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butane-1,4-dione
CID 47036037
N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-[(5-methyl-2-thienyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 50967408
1-isopropyl-N-(2-methoxyethyl)-N-[(3-methyl-2-thienyl)methyl]piperidine-4-carboxamide
CID 50976231
1-[2-[Methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]pyrrolidin-2-one
CID 72142297
7-(2-Methoxyethyl)-2-[(5-propyl-3-thienyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72861910
2-[(5-Ethyl-3-thienyl)carbonyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72921732
(3aR,7aR)-5-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methyl]-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 97377630
(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471699
1-[2-(Dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493714
1-[3-[(5-Methylthiophen-2-yl)methyl]-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97502771

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97370185) is 2-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is COCCN1CCC2(CCN(Cc3cccs3)CC2)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is ONFYDSVWJLYUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-20-11-10-18-9-6-16(15(18)19)4-7-17(8-5-16)13-14-3-2-12-21-14/h2-3,12H,4-11,13H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
2-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 308.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).