1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

C16H21NO5S — CID 100759723

IUPAC1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)cc1O2
InChIInChI=1S/C16H21NO5S/c1-3-23(19,20)17-8-6-16(7-9-17)11-14(18)13-5-4-12(21-2)10-15(13)22-16/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyDJRUASKJURBXRG-UHFFFAOYSA-N
MW339.41 g/mol
LogP1.84
Rot. Bonds3

About 1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 100759723) has the molecular formula C16H21NO5S and a molecular weight of 339.41 g/mol. Its IUPAC name is 1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID100759723
Molecular FormulaC16H21NO5S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Name1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)cc1O2
InChIInChI=1S/C16H21NO5S/c1-3-23(19,20)17-8-6-16(7-9-17)11-14(18)13-5-4-12(21-2)10-15(13)22-16/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyDJRUASKJURBXRG-UHFFFAOYSA-N
XLogP1.84
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-ethylsulfonyl-7-methoxyspiro[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

1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
1'-benzylsulfonyl-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760013
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770657
prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735806
7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114672412
1'-butylsulfonyl-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108783858
6-tert-butyl-1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759436
1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 108735847
1'-(2-cyclohexylacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758841
7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one
CID 114672414

Frequently Asked Questions

What is the IUPAC name of 1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (CID 100759723) is 1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is CCS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)cc1O2.
What is the InChIKey of 1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is DJRUASKJURBXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5S/c1-3-23(19,20)17-8-6-16(7-9-17)11-14(18)13-5-4-12(21-2)10-15(13)22-16/h4-5,10H,3,6-9,11H2,1-2H3.
What are the key properties of 1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 339.41 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 100759723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).