3-[2-(2-fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C15H17FN2O2S — CID 7611236

IUPAC3-[2-(2-fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CCSc1ccccc1F
InChIInChI=1S/C15H17FN2O2S/c16-11-5-1-2-6-12(11)21-10-9-18-13(19)15(17-14(18)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,20)
InChIKeyNTMQYHHXVFRRPN-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.78
Rot. Bonds4

About 3-[2-(2-fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-(2-fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 7611236) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID7611236
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name3-[2-(2-fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CCSc1ccccc1F
InChIInChI=1S/C15H17FN2O2S/c16-11-5-1-2-6-12(11)21-10-9-18-13(19)15(17-14(18)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,20)
InChIKeyNTMQYHHXVFRRPN-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(2-fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-(2-fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 7611236) is 3-[2-(2-fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-(2-fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-(2-fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1CCSc1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is NTMQYHHXVFRRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c16-11-5-1-2-6-12(11)21-10-9-18-13(19)15(17-14(18)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,20).
What are the key properties of 3-[2-(2-fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-(2-fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 308.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)sulfanylethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 7611236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).