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

C15H22N4O4S — CID 24545815

IUPACN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)CCN1CCSC1=O)C2=O
InChIInChI=1S/C15H22N4O4S/c1-10-2-5-15(6-3-10)12(21)19(13(22)16-15)17-11(20)4-7-18-8-9-24-14(18)23/h10H,2-9H2,1H3,(H,16,22)(H,17,20)
InChIKeyJGFLFKICQLJQFR-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.08
Rot. Bonds4

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

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 24545815) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID24545815
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)CCN1CCSC1=O)C2=O
InChIInChI=1S/C15H22N4O4S/c1-10-2-5-15(6-3-10)12(21)19(13(22)16-15)17-11(20)4-7-18-8-9-24-14(18)23/h10H,2-9H2,1H3,(H,16,22)(H,17,20)
InChIKeyJGFLFKICQLJQFR-UHFFFAOYSA-N
XLogP1.08
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.08
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)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 24545815) is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CC1CCC2(CC1)NC(=O)N(NC(=O)CCN1CCSC1=O)C2=O.
What is the InChIKey of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is JGFLFKICQLJQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-10-2-5-15(6-3-10)12(21)19(13(22)16-15)17-11(20)4-7-18-8-9-24-14(18)23/h10H,2-9H2,1H3,(H,16,22)(H,17,20).
What are the key properties of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 354.43 g/mol, XLogP of 1.08, 4 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)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 24545815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).