2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H26N2O3S — CID 72850034

IUPAC2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1c(C(=O)N2CCC3(CCCN(CCO)C3=O)C2)csc1C
InChIInChI=1S/C18H26N2O3S/c1-3-14-13(2)24-11-15(14)16(22)20-8-6-18(12-20)5-4-7-19(9-10-21)17(18)23/h11,21H,3-10,12H2,1-2H3
InChIKeyFXRBOTFCUYVHIK-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.07
Rot. Bonds4

About 2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72850034) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72850034
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1c(C(=O)N2CCC3(CCCN(CCO)C3=O)C2)csc1C
InChIInChI=1S/C18H26N2O3S/c1-3-14-13(2)24-11-15(14)16(22)20-8-6-18(12-20)5-4-7-19(9-10-21)17(18)23/h11,21H,3-10,12H2,1-2H3
InChIKeyFXRBOTFCUYVHIK-UHFFFAOYSA-N
XLogP2.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

4-[(4-Ethyl-5-methyl-3-thienyl)carbonyl]morpholine
CID 1246298
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
7-(2-Hydroxyethyl)-2-[(5-propyl-3-thienyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918483
2-[(5-Ethyl-3-thienyl)carbonyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72921732
7-Methyl-2-[(5-methyl-4-phenyl-3-thienyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72922240
[(3R*,4R*)-1-[(5-methyl-3-thienyl)carbonyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 70712194
(5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42122119
[(3R*,4R*)-1-[(4-ethyl-5-methyl-3-thienyl)carbonyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70721388
(3R)-1-[(4-ethyl-5-methyl-3-thienyl)carbonyl]-3,4,4-trimethyl-3-pyrrolidinol
CID 72916766
(5S)-7-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97149822
(4,5-dimethylthiophen-3-yl)-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]methanone
CID 137994692

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72850034) is 2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is CCc1c(C(=O)N2CCC3(CCCN(CCO)C3=O)C2)csc1C.
What is the InChIKey of 2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FXRBOTFCUYVHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-3-14-13(2)24-11-15(14)16(22)20-8-6-18(12-20)5-4-7-19(9-10-21)17(18)23/h11,21H,3-10,12H2,1-2H3.
What are the key properties of 2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 350.48 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72850034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).