N-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide

C15H17N3O3S — CID 2460368

IUPACN-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide
SMILESO=C(CN1C(=O)N[C@]2(CCSC2)C1=O)NCc1ccccc1
InChIInChI=1S/C15H17N3O3S/c19-12(16-8-11-4-2-1-3-5-11)9-18-13(20)15(17-14(18)21)6-7-22-10-15/h1-5H,6-10H2,(H,16,19)(H,17,21)/t15-/m0/s1
InChIKeyHWFUJODZTCLNCE-HNNXBMFYSA-N
MW319.39 g/mol
LogP0.73
Rot. Bonds4

About N-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide

N-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide (PubChem CID 2460368) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide
PubChem CID2460368
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide
SMILESO=C(CN1C(=O)N[C@]2(CCSC2)C1=O)NCc1ccccc1
InChIInChI=1S/C15H17N3O3S/c19-12(16-8-11-4-2-1-3-5-11)9-18-13(20)15(17-14(18)21)6-7-22-10-15/h1-5H,6-10H2,(H,16,19)(H,17,21)/t15-/m0/s1
InChIKeyHWFUJODZTCLNCE-HNNXBMFYSA-N
XLogP0.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4878898
N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55484732
2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide
CID 55310160
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-phenoxyphenyl)methyl]acetamide
CID 39576210
2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 42979279
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
N-benzhydryl-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 42979649
2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 55310113
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
N-[(3-chlorophenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266322
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711629
N-benzyl-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138882

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide (CID 2460368) is N-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide is O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide?
The InChIKey is HWFUJODZTCLNCE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-12(16-8-11-4-2-1-3-5-11)9-18-13(20)15(17-14(18)21)6-7-22-10-15/h1-5H,6-10H2,(H,16,19)(H,17,21)/t15-/m0/s1.
What are the key properties of N-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide?
N-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide has a molecular weight of 319.39 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide is sourced from PubChem (CID 2460368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).