6-fluoro-1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one

C14H16FNO4S — CID 46959815

IUPAC6-fluoro-1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCS(=O)(=O)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2
InChIInChI=1S/C14H16FNO4S/c1-21(18,19)16-6-4-14(5-7-16)9-12(17)11-8-10(15)2-3-13(11)20-14/h2-3,8H,4-7,9H2,1H3
InChIKeyRCNCXUFHVZVTRU-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.59
Rot. Bonds1

About 6-fluoro-1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one

6-fluoro-1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 46959815) has the molecular formula C14H16FNO4S and a molecular weight of 313.35 g/mol. Its IUPAC name is 6-fluoro-1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-fluoro-1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID46959815
Molecular FormulaC14H16FNO4S
Molecular Weight313.35 g/mol
Exact Mass313.08
IUPAC Name6-fluoro-1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCS(=O)(=O)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2
InChIInChI=1S/C14H16FNO4S/c1-21(18,19)16-6-4-14(5-7-16)9-12(17)11-8-10(15)2-3-13(11)20-14/h2-3,8H,4-7,9H2,1H3
InChIKeyRCNCXUFHVZVTRU-UHFFFAOYSA-N
XLogP1.59
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-fluoro-1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 46959815) is 6-fluoro-1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-fluoro-1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-fluoro-1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is CS(=O)(=O)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2.
What is the InChIKey of 6-fluoro-1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is RCNCXUFHVZVTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4S/c1-21(18,19)16-6-4-14(5-7-16)9-12(17)11-8-10(15)2-3-13(11)20-14/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 6-fluoro-1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
6-fluoro-1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 313.35 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 46959815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).