N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide

C21H25N3O4S — CID 10364538

IUPACN-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccn3)CC1)O2
InChIInChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-20-18(14-17)19(25)15-21(28-20)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
InChIKeyXKYLWRMBNQDHDM-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]-6-yl]methanesulfonamide

N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide (PubChem CID 10364538) 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]-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
PubChem CID10364538
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]-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccn3)CC1)O2
InChIInChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-20-18(14-17)19(25)15-21(28-20)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
InChIKeyXKYLWRMBNQDHDM-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]-6-yl]methanesulfonamide with MolForge

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Related Compounds

1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 10314056
1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 19045287
N-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide
CID 44571701
N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrate;hydrochloride
CID 52940505
7-amino-5H-chromeno[2,3-b]pyridin-5-one
CID 659426
US8673966, N-(4-(4-oxo-7-(pyridin-2-ylethynyl)-4H-chromen-3-yl)phenyl)methanesulfonamide
CID 71506251
US10023592, Example 57
CID 118022094
US10023592, Example 127
CID 118022315
N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide
CID 11742585
N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-8-yl]methanesulfonamide;hydrate;hydrochloride
CID 49860831
N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide;hydrate;hydrochloride
CID 73346592
1'-(pyridin-3-ylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770579

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide?
The IUPAC name of N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide (CID 10364538) is N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide.
What is the SMILES notation for N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide?
The canonical SMILES for N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccn3)CC1)O2.
What is the InChIKey of N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide?
The InChIKey is XKYLWRMBNQDHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-20-18(14-17)19(25)15-21(28-20)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]-6-yl]methanesulfonamide?
N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-6-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]-6-yl]methanesulfonamide is sourced from PubChem (CID 10364538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).