2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one

C17H26N2O2S — CID 97370190

IUPAC2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCN(Cc3ccc(C)s3)CC2)C1=O
InChIInChI=1S/C17H26N2O2S/c1-14-3-4-15(22-14)13-18-8-5-17(6-9-18)7-10-19(16(17)20)11-12-21-2/h3-4H,5-13H2,1-2H3
InChIKeyCHUAFCUWYXLCAC-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.52
Rot. Bonds5

About 2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one

2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370190) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97370190
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCN(Cc3ccc(C)s3)CC2)C1=O
InChIInChI=1S/C17H26N2O2S/c1-14-3-4-15(22-14)13-18-8-5-17(6-9-18)7-10-19(16(17)20)11-12-21-2/h3-4H,5-13H2,1-2H3
InChIKeyCHUAFCUWYXLCAC-UHFFFAOYSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-3-ethyl-13-(2-methoxyethyl)-9-[(5-methylthiophen-2-yl)methyl]-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360457
2-ethyl-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155834850
1-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131643872
2-methyl-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155834773
2-(2-methoxyethyl)-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 98895101
2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175641199
1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
CID 75440062
2-(2-methoxyethyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176502457
1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecane
CID 97374456
(5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 136818945
7-(2-methoxyethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45190498
4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 121020761

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one (CID 97370190) is 2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one is COCCN1CCC2(CCN(Cc3ccc(C)s3)CC2)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is CHUAFCUWYXLCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-14-3-4-15(22-14)13-18-8-5-17(6-9-18)7-10-19(16(17)20)11-12-21-2/h3-4H,5-13H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 322.47 g/mol, XLogP of 2.52, 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-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).