2-(5-ethylthiophene-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H26N2O3S — CID 72921732

IUPAC2-(5-ethylthiophene-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1cc(C(=O)N2CCC3(CCCN(CCOC)C3=O)C2)cs1
InChIInChI=1S/C18H26N2O3S/c1-3-15-11-14(12-24-15)16(21)20-8-6-18(13-20)5-4-7-19(17(18)22)9-10-23-2/h11-12H,3-10,13H2,1-2H3
InChIKeyKLYOGMSZETUSKH-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.41
Rot. Bonds5

About 2-(5-ethylthiophene-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(5-ethylthiophene-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72921732) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-(5-ethylthiophene-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(5-ethylthiophene-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72921732
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name2-(5-ethylthiophene-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1cc(C(=O)N2CCC3(CCCN(CCOC)C3=O)C2)cs1
InChIInChI=1S/C18H26N2O3S/c1-3-15-11-14(12-24-15)16(21)20-8-6-18(13-20)5-4-7-19(17(18)22)9-10-23-2/h11-12H,3-10,13H2,1-2H3
InChIKeyKLYOGMSZETUSKH-UHFFFAOYSA-N
XLogP2.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylthiophen-3-yl)-methanone
CID 11544608
1-(4-{[4-(Pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]methyl}-2-thienyl)ethanone
CID 16187722
4-Ethyl-5-methyl-N-(2-methyl-2-morpholinopropyl)thiophene-2-carboxamide
CID 24981570
N-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
CID 3236764
4-ethyl-5-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 24979018
4-({5-[1-(2,2-Dimethylpropanoyl)-2-pyrrolidinyl]-2-thienyl}carbonyl)morpholine
CID 45186826
4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 45843962
N-(2-methoxyethyl)-3-methyl-1-(4-phenylthiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 49778628
Morpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
CID 71690064
2-[(4-Ethyl-5-methyl-3-thienyl)carbonyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72850034
7-(2-Methoxyethyl)-2-[(5-propyl-3-thienyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72861910
7-(Cyclopropylmethyl)-2-[(5-ethyl-3-thienyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72897211

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophene-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(5-ethylthiophene-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72921732) is 2-(5-ethylthiophene-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(5-ethylthiophene-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(5-ethylthiophene-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is CCc1cc(C(=O)N2CCC3(CCCN(CCOC)C3=O)C2)cs1.
What is the InChIKey of 2-(5-ethylthiophene-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KLYOGMSZETUSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-3-15-11-14(12-24-15)16(21)20-8-6-18(13-20)5-4-7-19(17(18)22)9-10-23-2/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 2-(5-ethylthiophene-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(5-ethylthiophene-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 350.48 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophene-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72921732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).