N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide

C20H31N5O4S — CID 56578732

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCCC1C(=O)N1CCSCC1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C20H31N5O4S/c26-16(22-25-18(28)20(21-19(25)29)7-2-1-3-8-20)6-10-23-9-4-5-15(23)17(27)24-11-13-30-14-12-24/h15H,1-14H2,(H,21,29)(H,22,26)
InChIKeyBDKUINHRLFBZMY-UHFFFAOYSA-N
MW437.57 g/mol
LogP0.70
Rot. Bonds5

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide (PubChem CID 56578732) has the molecular formula C20H31N5O4S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
PubChem CID56578732
Molecular FormulaC20H31N5O4S
Molecular Weight437.57 g/mol
Exact Mass437.21
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCCC1C(=O)N1CCSCC1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C20H31N5O4S/c26-16(22-25-18(28)20(21-19(25)29)7-2-1-3-8-20)6-10-23-9-4-5-15(23)17(27)24-11-13-30-14-12-24/h15H,1-14H2,(H,21,29)(H,22,26)
InChIKeyBDKUINHRLFBZMY-UHFFFAOYSA-N
XLogP0.70
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide (CID 56578732) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide is O=C(CCN1CCCC1C(=O)N1CCSCC1)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-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide?
The InChIKey is BDKUINHRLFBZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O4S/c26-16(22-25-18(28)20(21-19(25)29)7-2-1-3-8-20)6-10-23-9-4-5-15(23)17(27)24-11-13-30-14-12-24/h15H,1-14H2,(H,21,29)(H,22,26).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide has a molecular weight of 437.57 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 56578732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).