(4R)-6-fluoro-3'-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione

About (4R)-6-fluoro-3'-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione

(4R)-6-fluoro-3'-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 8893784) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is (4R)-6-fluoro-3'-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name	(4R)-6-fluoro-3'-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID	8893784
Molecular Formula	C19H22FN3O3S
Molecular Weight	391.47 g/mol
Exact Mass	391.14
IUPAC Name	(4R)-6-fluoro-3'-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILES	C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@]2(CCSc3ccc(F)cc32)C1=O
InChI	InChI=1S/C19H22FN3O3S/c1-12-4-2-3-8-22(12)16(24)11-23-17(25)19(21-18(23)26)7-9-27-15-6-5-13(20)10-14(15)19/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,21,26)/t12-,19+/m0/s1
InChIKey	OLPYDJBZHDVPMS-HXPMCKFVSA-N
XLogP	2.47
TPSA	69.72 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-3'-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?

The IUPAC name of (4R)-6-fluoro-3'-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (CID 8893784) is (4R)-6-fluoro-3'-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.

What is the SMILES notation for (4R)-6-fluoro-3'-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?

The canonical SMILES for (4R)-6-fluoro-3'-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@]2(CCSc3ccc(F)cc32)C1=O.

What is the InChIKey of (4R)-6-fluoro-3'-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?

The InChIKey is OLPYDJBZHDVPMS-HXPMCKFVSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-12-4-2-3-8-22(12)16(24)11-23-17(25)19(21-18(23)26)7-9-27-15-6-5-13(20)10-14(15)19/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,21,26)/t12-,19+/m0/s1.

What are the key properties of (4R)-6-fluoro-3'-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?

(4R)-6-fluoro-3'-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 391.47 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-6-fluoro-3'-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 8893784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).