N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C14H20N4O4S — CID 17478995

IUPACN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCSC1=O)C2=O
InChIInChI=1S/C14H20N4O4S/c1-9-2-4-14(5-3-9)11(20)18(12(21)15-14)16-10(19)8-17-6-7-23-13(17)22/h9H,2-8H2,1H3,(H,15,21)(H,16,19)
InChIKeyLXTVVGUVPPBSJK-UHFFFAOYSA-N
MW340.41 g/mol
LogP0.69
Rot. Bonds3

About N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 17478995) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID17478995
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCSC1=O)C2=O
InChIInChI=1S/C14H20N4O4S/c1-9-2-4-14(5-3-9)11(20)18(12(21)15-14)16-10(19)8-17-6-7-23-13(17)22/h9H,2-8H2,1H3,(H,15,21)(H,16,19)
InChIKeyLXTVVGUVPPBSJK-UHFFFAOYSA-N
XLogP0.69
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 17478995) is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCSC1=O)C2=O.
What is the InChIKey of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is LXTVVGUVPPBSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-9-2-4-14(5-3-9)11(20)18(12(21)15-14)16-10(19)8-17-6-7-23-13(17)22/h9H,2-8H2,1H3,(H,15,21)(H,16,19).
What are the key properties of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 340.41 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 17478995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).