8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione

C19H23N3O5S2 — CID 91892537

IUPAC8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C(c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1)N1CCSCC1
InChIInChI=1S/C19H23N3O5S2/c23-16(21-7-9-28-10-8-21)15-3-1-14(2-4-15)13-22-17(24)19(20-18(22)25)5-11-29(26,27)12-6-19/h1-4H,5-13H2,(H,20,25)
InChIKeySPMWLBIUHCBKQK-UHFFFAOYSA-N
MW437.54 g/mol
LogP0.87
Rot. Bonds3

About 8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione

8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 91892537) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID91892537
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC Name8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C(c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1)N1CCSCC1
InChIInChI=1S/C19H23N3O5S2/c23-16(21-7-9-28-10-8-21)15-3-1-14(2-4-15)13-22-17(24)19(20-18(22)25)5-11-29(26,27)12-6-19/h1-4H,5-13H2,(H,20,25)
InChIKeySPMWLBIUHCBKQK-UHFFFAOYSA-N
XLogP0.87
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione 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 8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione (CID 91892537) is 8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione is O=C(c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1)N1CCSCC1.
What is the InChIKey of 8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is SPMWLBIUHCBKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c23-16(21-7-9-28-10-8-21)15-3-1-14(2-4-15)13-22-17(24)19(20-18(22)25)5-11-29(26,27)12-6-19/h1-4H,5-13H2,(H,20,25).
What are the key properties of 8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 437.54 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dioxo-3-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 91892537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).