N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide

C21H25N3O4S — CID 11742585

IUPACN-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3ccccn3)CC1)CC2=O
InChIInChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-18-19(25)15-21(28-20(18)14-17)8-12-24(13-9-21)11-7-16-4-2-3-10-22-16/h2-6,10,14,23H,7-9,11-13,15H2,1H3
InChIKeySPDFHNLNFIMTBW-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.50
Rot. Bonds5

About N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide

N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide (PubChem CID 11742585) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide
PubChem CID11742585
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3ccccn3)CC1)CC2=O
InChIInChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-18-19(25)15-21(28-20(18)14-17)8-12-24(13-9-21)11-7-16-4-2-3-10-22-16/h2-6,10,14,23H,7-9,11-13,15H2,1H3
InChIKeySPDFHNLNFIMTBW-UHFFFAOYSA-N
XLogP2.50
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide 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 N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide?
The IUPAC name of N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide (CID 11742585) is N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide.
What is the SMILES notation for N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide?
The canonical SMILES for N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3ccccn3)CC1)CC2=O.
What is the InChIKey of N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide?
The InChIKey is SPDFHNLNFIMTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-18-19(25)15-21(28-20(18)14-17)8-12-24(13-9-21)11-7-16-4-2-3-10-22-16/h2-6,10,14,23H,7-9,11-13,15H2,1H3.
What are the key properties of N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide?
N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide has a molecular weight of 415.52 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide is sourced from PubChem (CID 11742585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).