3-ethyl-8-(2-fluorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C15H18FN3O4S — CID 16896765

IUPAC3-ethyl-8-(2-fluorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)NC2(CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O
InChIInChI=1S/C15H18FN3O4S/c1-2-19-13(20)15(17-14(19)21)7-9-18(10-8-15)24(22,23)12-6-4-3-5-11(12)16/h3-6H,2,7-10H2,1H3,(H,17,21)
InChIKeyLUQMYUDMLWOLHK-UHFFFAOYSA-N
MW355.39 g/mol
LogP0.92
Rot. Bonds3

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

3-ethyl-8-(2-fluorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 16896765) has the molecular formula C15H18FN3O4S and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-ethyl-8-(2-fluorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-ethyl-8-(2-fluorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID16896765
Molecular FormulaC15H18FN3O4S
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC Name3-ethyl-8-(2-fluorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)NC2(CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O
InChIInChI=1S/C15H18FN3O4S/c1-2-19-13(20)15(17-14(19)21)7-9-18(10-8-15)24(22,23)12-6-4-3-5-11(12)16/h3-6H,2,7-10H2,1H3,(H,17,21)
InChIKeyLUQMYUDMLWOLHK-UHFFFAOYSA-N
XLogP0.92
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
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 3-ethyl-8-(2-fluorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-ethyl-8-(2-fluorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 16896765) is 3-ethyl-8-(2-fluorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-ethyl-8-(2-fluorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-ethyl-8-(2-fluorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)NC2(CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O.
What is the InChIKey of 3-ethyl-8-(2-fluorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LUQMYUDMLWOLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O4S/c1-2-19-13(20)15(17-14(19)21)7-9-18(10-8-15)24(22,23)12-6-4-3-5-11(12)16/h3-6H,2,7-10H2,1H3,(H,17,21).
What are the key properties of 3-ethyl-8-(2-fluorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-ethyl-8-(2-fluorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 355.39 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(2-fluorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 16896765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).