2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide

C7H12N4O4S — CID 112573865

IUPAC2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide
SMILESNS(=O)(=O)N1CCCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C7H12N4O4S/c8-16(14,15)11-3-1-2-7(4-11)5(12)9-6(13)10-7/h1-4H2,(H2,8,14,15)(H2,9,10,12,13)
InChIKeyUTUGQXBFRZNIPF-UHFFFAOYSA-N
MW248.26 g/mol
LogP-2.14
Rot. Bonds1

About 2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide

2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide (PubChem CID 112573865) has the molecular formula C7H12N4O4S and a molecular weight of 248.26 g/mol. Its IUPAC name is 2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide
PubChem CID112573865
Molecular FormulaC7H12N4O4S
Molecular Weight248.26 g/mol
Exact Mass248.06
IUPAC Name2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide
SMILESNS(=O)(=O)N1CCCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C7H12N4O4S/c8-16(14,15)11-3-1-2-7(4-11)5(12)9-6(13)10-7/h1-4H2,(H2,8,14,15)(H2,9,10,12,13)
InChIKeyUTUGQXBFRZNIPF-UHFFFAOYSA-N
XLogP-2.14
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide?
The IUPAC name of 2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide (CID 112573865) is 2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide.
What is the SMILES notation for 2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide?
The canonical SMILES for 2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide is NS(=O)(=O)N1CCCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide?
The InChIKey is UTUGQXBFRZNIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4S/c8-16(14,15)11-3-1-2-7(4-11)5(12)9-6(13)10-7/h1-4H2,(H2,8,14,15)(H2,9,10,12,13).
What are the key properties of 2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide?
2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide has a molecular weight of 248.26 g/mol, XLogP of -2.14, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide is sourced from PubChem (CID 112573865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).