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

C14H17NO4S — CID 7260657

IUPAC1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C14H17NO4S/c1-20(17,18)15-8-6-14(7-9-15)10-12(16)11-4-2-3-5-13(11)19-14/h2-5H,6-10H2,1H3
InChIKeyZETZELLKTSNOFH-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.45
Rot. Bonds1

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

1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260657) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260657
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C14H17NO4S/c1-20(17,18)15-8-6-14(7-9-15)10-12(16)11-4-2-3-5-13(11)19-14/h2-5H,6-10H2,1H3
InChIKeyZETZELLKTSNOFH-UHFFFAOYSA-N
XLogP1.45
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260657) is 1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is CS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2.
What is the InChIKey of 1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is ZETZELLKTSNOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-20(17,18)15-8-6-14(7-9-15)10-12(16)11-4-2-3-5-13(11)19-14/h2-5H,6-10H2,1H3.
What are the key properties of 1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 295.36 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).