8-(difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C8H11F2N3O4S — CID 55118570

IUPAC8-(difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(S(=O)(=O)C(F)F)CC2)N1
InChIInChI=1S/C8H11F2N3O4S/c9-6(10)18(16,17)13-3-1-8(2-4-13)5(14)11-7(15)12-8/h6H,1-4H2,(H2,11,12,14,15)
InChIKeyPPBBLDLDUBCPJS-UHFFFAOYSA-N
MW283.26 g/mol
LogP-0.79
Rot. Bonds2

About 8-(difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 55118570) has the molecular formula C8H11F2N3O4S and a molecular weight of 283.26 g/mol. Its IUPAC name is 8-(difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID55118570
Molecular FormulaC8H11F2N3O4S
Molecular Weight283.26 g/mol
Exact Mass283.04
IUPAC Name8-(difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(S(=O)(=O)C(F)F)CC2)N1
InChIInChI=1S/C8H11F2N3O4S/c9-6(10)18(16,17)13-3-1-8(2-4-13)5(14)11-7(15)12-8/h6H,1-4H2,(H2,11,12,14,15)
InChIKeyPPBBLDLDUBCPJS-UHFFFAOYSA-N
XLogP-0.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
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 8-(difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 55118570) is 8-(difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(S(=O)(=O)C(F)F)CC2)N1.
What is the InChIKey of 8-(difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PPBBLDLDUBCPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O4S/c9-6(10)18(16,17)13-3-1-8(2-4-13)5(14)11-7(15)12-8/h6H,1-4H2,(H2,11,12,14,15).
What are the key properties of 8-(difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 283.26 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 55118570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).