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

C20H25N3O5S — CID 91892533

IUPAC8,8-dioxo-3-[[4-(piperidine-1-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)N1CCCCC1
InChIInChI=1S/C20H25N3O5S/c24-17(22-10-2-1-3-11-22)16-6-4-15(5-7-16)14-23-18(25)20(21-19(23)26)8-12-29(27,28)13-9-20/h4-7H,1-3,8-14H2,(H,21,26)
InChIKeyZJGKNIWWSFENJO-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.31
Rot. Bonds3

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

8,8-dioxo-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 91892533) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 8,8-dioxo-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8,8-dioxo-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID91892533
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name8,8-dioxo-3-[[4-(piperidine-1-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)N1CCCCC1
InChIInChI=1S/C20H25N3O5S/c24-17(22-10-2-1-3-11-22)16-6-4-15(5-7-16)14-23-18(25)20(21-19(23)26)8-12-29(27,28)13-9-20/h4-7H,1-3,8-14H2,(H,21,26)
InChIKeyZJGKNIWWSFENJO-UHFFFAOYSA-N
XLogP1.31
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,8-dioxo-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8,8-dioxo-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione (CID 91892533) is 8,8-dioxo-3-[[4-(piperidine-1-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-(piperidine-1-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8,8-dioxo-3-[[4-(piperidine-1-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)N1CCCCC1.
What is the InChIKey of 8,8-dioxo-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZJGKNIWWSFENJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c24-17(22-10-2-1-3-11-22)16-6-4-15(5-7-16)14-23-18(25)20(21-19(23)26)8-12-29(27,28)13-9-20/h4-7H,1-3,8-14H2,(H,21,26).
What are the key properties of 8,8-dioxo-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
8,8-dioxo-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 419.50 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dioxo-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 91892533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).