1'-(benzenesulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C19H19NO4S — CID 7260661

IUPAC1'-(benzenesulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)Oc2ccccc21
InChIInChI=1S/C19H19NO4S/c21-17-14-19(24-18-9-5-4-8-16(17)18)10-12-20(13-11-19)25(22,23)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyPEXZVMNKODCNJN-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.88
Rot. Bonds2

About 1'-(benzenesulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(benzenesulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260661) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 1'-(benzenesulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(benzenesulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260661
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name1'-(benzenesulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)Oc2ccccc21
InChIInChI=1S/C19H19NO4S/c21-17-14-19(24-18-9-5-4-8-16(17)18)10-12-20(13-11-19)25(22,23)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyPEXZVMNKODCNJN-UHFFFAOYSA-N
XLogP2.88
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(benzenesulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(benzenesulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260661) is 1'-(benzenesulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(benzenesulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(benzenesulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(benzenesulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is PEXZVMNKODCNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c21-17-14-19(24-18-9-5-4-8-16(17)18)10-12-20(13-11-19)25(22,23)15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 1'-(benzenesulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(benzenesulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 357.43 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(benzenesulfonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).