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

C14H20N4O4S — CID 18105855

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C14H20N4O4S/c19-10(4-7-17-8-9-23-13(17)22)16-18-11(20)14(15-12(18)21)5-2-1-3-6-14/h1-9H2,(H,15,21)(H,16,19)
InChIKeyYBNCZRZNYKNRSF-UHFFFAOYSA-N
MW340.41 g/mol
LogP0.83
Rot. Bonds4

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

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 18105855) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID18105855
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C14H20N4O4S/c19-10(4-7-17-8-9-23-13(17)22)16-18-11(20)14(15-12(18)21)5-2-1-3-6-14/h1-9H2,(H,15,21)(H,16,19)
InChIKeyYBNCZRZNYKNRSF-UHFFFAOYSA-N
XLogP0.83
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 50.83
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-(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-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 18105855) is N-(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-(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-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is YBNCZRZNYKNRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c19-10(4-7-17-8-9-23-13(17)22)16-18-11(20)14(15-12(18)21)5-2-1-3-6-14/h1-9H2,(H,15,21)(H,16,19).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(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 340.41 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(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 18105855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).