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

C15H19NO4S — CID 7260658

IUPAC1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C15H19NO4S/c1-2-21(18,19)16-9-7-15(8-10-16)11-13(17)12-5-3-4-6-14(12)20-15/h3-6H,2,7-11H2,1H3
InChIKeyBFQCBHHFKRSONU-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.84
Rot. Bonds2

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

1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260658) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260658
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C15H19NO4S/c1-2-21(18,19)16-9-7-15(8-10-16)11-13(17)12-5-3-4-6-14(12)20-15/h3-6H,2,7-11H2,1H3
InChIKeyBFQCBHHFKRSONU-UHFFFAOYSA-N
XLogP1.84
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260658) is 1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is CCS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2.
What is the InChIKey of 1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is BFQCBHHFKRSONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-2-21(18,19)16-9-7-15(8-10-16)11-13(17)12-5-3-4-6-14(12)20-15/h3-6H,2,7-11H2,1H3.
What are the key properties of 1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 309.39 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).