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

C18H19FN2OS — CID 97373975

IUPAC(5S)-2-(3-fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1C[C@]2(CCN(Cc3cccs3)C2)CN1c1cccc(F)c1
InChIInChI=1S/C18H19FN2OS/c19-14-3-1-4-15(9-14)21-13-18(10-17(21)22)6-7-20(12-18)11-16-5-2-8-23-16/h1-5,8-9H,6-7,10-13H2/t18-/m0/s1
InChIKeyUOOZOFXDBYSZMD-SFHVURJKSA-N
MW330.43 g/mol
LogP3.52
Rot. Bonds3

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

(5S)-2-(3-fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97373975) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is (5S)-2-(3-fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5S)-2-(3-fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID97373975
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name(5S)-2-(3-fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1C[C@]2(CCN(Cc3cccs3)C2)CN1c1cccc(F)c1
InChIInChI=1S/C18H19FN2OS/c19-14-3-1-4-15(9-14)21-13-18(10-17(21)22)6-7-20(12-18)11-16-5-2-8-23-16/h1-5,8-9H,6-7,10-13H2/t18-/m0/s1
InChIKeyUOOZOFXDBYSZMD-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

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5S)-2-(3-fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 97373975) is (5S)-2-(3-fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5S)-2-(3-fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5S)-2-(3-fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is O=C1C[C@]2(CCN(Cc3cccs3)C2)CN1c1cccc(F)c1.
What is the InChIKey of (5S)-2-(3-fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is UOOZOFXDBYSZMD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19FN2OS/c19-14-3-1-4-15(9-14)21-13-18(10-17(21)22)6-7-20(12-18)11-16-5-2-8-23-16/h1-5,8-9H,6-7,10-13H2/t18-/m0/s1.
What are the key properties of (5S)-2-(3-fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
(5S)-2-(3-fluorophenyl)-7-(thiophen-2-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-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97373975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).