1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one

C21H23NO5S — CID 7260678

IUPAC1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1C
InChIInChI=1S/C21H23NO5S/c1-15-13-16(7-8-19(15)26-2)28(24,25)22-11-9-21(10-12-22)14-18(23)17-5-3-4-6-20(17)27-21/h3-8,13H,9-12,14H2,1-2H3
InChIKeyPAVOJWUJJLTPQQ-UHFFFAOYSA-N
MW401.48 g/mol
LogP3.19
Rot. Bonds3

About 1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260678) has the molecular formula C21H23NO5S and a molecular weight of 401.48 g/mol. Its IUPAC name is 1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260678
Molecular FormulaC21H23NO5S
Molecular Weight401.48 g/mol
Exact Mass401.13
IUPAC Name1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1C
InChIInChI=1S/C21H23NO5S/c1-15-13-16(7-8-19(15)26-2)28(24,25)22-11-9-21(10-12-22)14-18(23)17-5-3-4-6-20(17)27-21/h3-8,13H,9-12,14H2,1-2H3
InChIKeyPAVOJWUJJLTPQQ-UHFFFAOYSA-N
XLogP3.19
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260678) is 1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1C.
What is the InChIKey of 1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is PAVOJWUJJLTPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5S/c1-15-13-16(7-8-19(15)26-2)28(24,25)22-11-9-21(10-12-22)14-18(23)17-5-3-4-6-20(17)27-21/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 401.48 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methoxy-3-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).