(5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one

C18H19FN2OS — CID 97373977

IUPAC(5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1C[C@]2(CCN(Cc3ccsc3)C2)CN1c1cccc(F)c1
InChIInChI=1S/C18H19FN2OS/c19-15-2-1-3-16(8-15)21-13-18(9-17(21)22)5-6-20(12-18)10-14-4-7-23-11-14/h1-4,7-8,11H,5-6,9-10,12-13H2/t18-/m0/s1
InChIKeyYOPVSXDZQAAMHC-SFHVURJKSA-N
MW330.43 g/mol
LogP3.52
Rot. Bonds3

About (5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one

(5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97373977) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is (5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID97373977
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name(5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1C[C@]2(CCN(Cc3ccsc3)C2)CN1c1cccc(F)c1
InChIInChI=1S/C18H19FN2OS/c19-15-2-1-3-16(8-15)21-13-18(9-17(21)22)5-6-20(12-18)10-14-4-7-23-11-14/h1-4,7-8,11H,5-6,9-10,12-13H2/t18-/m0/s1
InChIKeyYOPVSXDZQAAMHC-SFHVURJKSA-N
XLogP3.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 97373977) is (5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is O=C1C[C@]2(CCN(Cc3ccsc3)C2)CN1c1cccc(F)c1.
What is the InChIKey of (5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is YOPVSXDZQAAMHC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19FN2OS/c19-15-2-1-3-16(8-15)21-13-18(9-17(21)22)5-6-20(12-18)10-14-4-7-23-11-14/h1-4,7-8,11H,5-6,9-10,12-13H2/t18-/m0/s1.
What are the key properties of (5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
(5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 330.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97373977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).