3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C15H17ClN2O3S — CID 2710885

IUPAC3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc(Cl)s1)C2=O
InChIInChI=1S/C15H17ClN2O3S/c1-9-4-6-15(7-5-9)13(20)18(14(21)17-15)8-10(19)11-2-3-12(16)22-11/h2-3,9H,4-8H2,1H3,(H,17,21)
InChIKeyYVZZLDMYWCJYMK-UHFFFAOYSA-N
MW340.83 g/mol
LogP3.08
Rot. Bonds3

About 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2710885) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2710885
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC Name3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc(Cl)s1)C2=O
InChIInChI=1S/C15H17ClN2O3S/c1-9-4-6-15(7-5-9)13(20)18(14(21)17-15)8-10(19)11-2-3-12(16)22-11/h2-3,9H,4-8H2,1H3,(H,17,21)
InChIKeyYVZZLDMYWCJYMK-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 60623088
(5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2438011
(5-chlorothiophen-2-yl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium
CID 9171796
5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 3998929
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62023826
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione
CID 55156736
N-(2-chlorophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3919530
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7170121
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671671
8-methyl-3-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7170007
3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide
CID 46523058

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2710885) is 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc(Cl)s1)C2=O.
What is the InChIKey of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is YVZZLDMYWCJYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c1-9-4-6-15(7-5-9)13(20)18(14(21)17-15)8-10(19)11-2-3-12(16)22-11/h2-3,9H,4-8H2,1H3,(H,17,21).
What are the key properties of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 340.83 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2710885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).