2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide

C18H25N3O3S2 — CID 8943406

IUPAC2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
SMILESC[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCSCc1cccs1)C2=O
InChIInChI=1S/C18H25N3O3S2/c1-13-5-2-3-7-18(13)16(23)21(17(24)20-18)11-15(22)19-8-10-25-12-14-6-4-9-26-14/h4,6,9,13H,2-3,5,7-8,10-12H2,1H3,(H,19,22)(H,20,24)/t13-,18-/m0/s1
InChIKeyJMEWOOUPDIKGNM-UGSOOPFHSA-N
MW395.55 g/mol
LogP2.60
Rot. Bonds7

About 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide

2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 8943406) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID8943406
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
SMILESC[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCSCc1cccs1)C2=O
InChIInChI=1S/C18H25N3O3S2/c1-13-5-2-3-7-18(13)16(23)21(17(24)20-18)11-15(22)19-8-10-25-12-14-6-4-9-26-14/h4,6,9,13H,2-3,5,7-8,10-12H2,1H3,(H,19,22)(H,20,24)/t13-,18-/m0/s1
InChIKeyJMEWOOUPDIKGNM-UGSOOPFHSA-N
XLogP2.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7626293
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55419795
N-methyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40881449
N-[(5-chlorothiophen-2-yl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46449000
N-[2-(4-chlorophenyl)ethyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703346
N-(2-aminoethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119384509
N-(3-methylbutyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 16545028
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide
CID 8521724
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methyl-1-thiophen-2-ylbutyl)acetamide
CID 55921450
N-[2-(4-fluorophenyl)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2081664
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 8954804
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 2604082

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide (CID 8943406) is 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide is C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCSCc1cccs1)C2=O.
What is the InChIKey of 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is JMEWOOUPDIKGNM-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-13-5-2-3-7-18(13)16(23)21(17(24)20-18)11-15(22)19-8-10-25-12-14-6-4-9-26-14/h4,6,9,13H,2-3,5,7-8,10-12H2,1H3,(H,19,22)(H,20,24)/t13-,18-/m0/s1.
What are the key properties of 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 8943406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).