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

C8H10F3N3O4S — CID 62850207

IUPAC8-(trifluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(S(=O)(=O)C(F)(F)F)CC2)N1
InChIInChI=1S/C8H10F3N3O4S/c9-8(10,11)19(17,18)14-3-1-7(2-4-14)5(15)12-6(16)13-7/h1-4H2,(H2,12,13,15,16)
InChIKeyJDDGGRFMEKJBJR-UHFFFAOYSA-N
MW301.25 g/mol
LogP-0.49
Rot. Bonds1

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

8-(trifluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 62850207) has the molecular formula C8H10F3N3O4S and a molecular weight of 301.25 g/mol. Its IUPAC name is 8-(trifluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(trifluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID62850207
Molecular FormulaC8H10F3N3O4S
Molecular Weight301.25 g/mol
Exact Mass301.03
IUPAC Name8-(trifluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(S(=O)(=O)C(F)(F)F)CC2)N1
InChIInChI=1S/C8H10F3N3O4S/c9-8(10,11)19(17,18)14-3-1-7(2-4-14)5(15)12-6(16)13-7/h1-4H2,(H2,12,13,15,16)
InChIKeyJDDGGRFMEKJBJR-UHFFFAOYSA-N
XLogP-0.49
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 5-0.49
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-(trifluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(trifluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 62850207) is 8-(trifluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(trifluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(trifluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(S(=O)(=O)C(F)(F)F)CC2)N1.
What is the InChIKey of 8-(trifluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is JDDGGRFMEKJBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O4S/c9-8(10,11)19(17,18)14-3-1-7(2-4-14)5(15)12-6(16)13-7/h1-4H2,(H2,12,13,15,16).
What are the key properties of 8-(trifluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(trifluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 301.25 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 62850207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).