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

C20H21NO5S — CID 7260666

IUPAC1'-(4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1
InChIInChI=1S/C20H21NO5S/c1-25-15-6-8-16(9-7-15)27(23,24)21-12-10-20(11-13-21)14-18(22)17-4-2-3-5-19(17)26-20/h2-9H,10-14H2,1H3
InChIKeyKMPWIUJIVJKOPF-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.88
Rot. Bonds3

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

1'-(4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260666) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is 1'-(4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260666
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Name1'-(4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1
InChIInChI=1S/C20H21NO5S/c1-25-15-6-8-16(9-7-15)27(23,24)21-12-10-20(11-13-21)14-18(22)17-4-2-3-5-19(17)26-20/h2-9H,10-14H2,1H3
InChIKeyKMPWIUJIVJKOPF-UHFFFAOYSA-N
XLogP2.88
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methylspiro[2H-1-benzopyran-2,4'-piperidine]4(3H)-one
CID 1233903
8a-benzyl-2-(4-methoxyphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442920
8a-benzyl-2-(4-phenoxyphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442923
N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydrochromene-6-sulfonamide
CID 142380217
[1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-piperidin-4-yl]-(4-methoxy-phenyl)-methanone
CID 646983
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
2-Ethoxy-5-[(4-phenylpiperidino)sulfonyl]benzenecarboxylic acid
CID 3776753
(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-[1-(4-methoxy-benzenesulfonyl)-piperidin-4-yl]-methanone
CID 650342

Frequently Asked Questions

What is the IUPAC name of 1'-(4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260666) is 1'-(4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1.
What is the InChIKey of 1'-(4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is KMPWIUJIVJKOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-25-15-6-8-16(9-7-15)27(23,24)21-12-10-20(11-13-21)14-18(22)17-4-2-3-5-19(17)26-20/h2-9H,10-14H2,1H3.
What are the key properties of 1'-(4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 387.46 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).