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

C20H21NO4S — CID 7260663

IUPAC1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1
InChIInChI=1S/C20H21NO4S/c1-15-6-8-16(9-7-15)26(23,24)21-12-10-20(11-13-21)14-18(22)17-4-2-3-5-19(17)25-20/h2-9H,10-14H2,1H3
InChIKeyKDRJYIRPRREXNO-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.18
Rot. Bonds2

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

1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260663) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260663
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1
InChIInChI=1S/C20H21NO4S/c1-15-6-8-16(9-7-15)26(23,24)21-12-10-20(11-13-21)14-18(22)17-4-2-3-5-19(17)25-20/h2-9H,10-14H2,1H3
InChIKeyKDRJYIRPRREXNO-UHFFFAOYSA-N
XLogP3.18
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-(4-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

Related Compounds

N-methylspiro[2H-1-benzopyran-2,4'-piperidine]4(3H)-one
CID 1233903
1'-Benzylspiro[chroman-2,4'-piperidin]-4-one
CID 2427316
8a-(3-methoxybenzyl)-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442951
1'-(Benzenesulfonyl)-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-one
CID 7260661
1'-(3,4-Dimethoxybenzenesulfonyl)-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-one
CID 7260674
4-({4-Oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-1'-yl}sulfonyl)benzoic acid
CID 7260677
1'-(4-Methoxy-3-methylbenzenesulfonyl)-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-one
CID 7260678
1-(4-{[4-(4-Methoxyphenoxy)piperidin-1-yl]sulfonyl}phenyl)ethanone
CID 23607733
1'-(4-Methoxybenzenesulfonyl)-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-one
CID 7260666
1'-((2-Fluorophenyl)sulfonyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260681
CID 134791838
CID 134791838
11-{(3S)-3-(3-chlorophenyl)-4-[methyl(phenylsulfonyl)amino]butyl}spiro[chromane-2,4'-piperidine]-4-one
CID 5481718

Frequently Asked Questions

What is the IUPAC name of 1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260663) is 1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1.
What is the InChIKey of 1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is KDRJYIRPRREXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-15-6-8-16(9-7-15)26(23,24)21-12-10-20(11-13-21)14-18(22)17-4-2-3-5-19(17)25-20/h2-9H,10-14H2,1H3.
What are the key properties of 1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 371.46 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).