N-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide

C20H30N2O4S — CID 19045333

IUPACN-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide
SMILESCCCCCCN1CCC2(CC1)CC(=O)c1cc(NS(C)(=O)=O)ccc1O2
InChIInChI=1S/C20H30N2O4S/c1-3-4-5-6-11-22-12-9-20(10-13-22)15-18(23)17-14-16(21-27(2,24)25)7-8-19(17)26-20/h7-8,14,21H,3-6,9-13,15H2,1-2H3
InChIKeyLQBMCHRGOJITHW-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.44
Rot. Bonds7

About N-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide

N-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide (PubChem CID 19045333) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide
PubChem CID19045333
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide
SMILESCCCCCCN1CCC2(CC1)CC(=O)c1cc(NS(C)(=O)=O)ccc1O2
InChIInChI=1S/C20H30N2O4S/c1-3-4-5-6-11-22-12-9-20(10-13-22)15-18(23)17-14-16(21-27(2,24)25)7-8-19(17)26-20/h7-8,14,21H,3-6,9-13,15H2,1-2H3
InChIKeyLQBMCHRGOJITHW-UHFFFAOYSA-N
XLogP3.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide?
The IUPAC name of N-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide (CID 19045333) is N-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide.
What is the SMILES notation for N-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide?
The canonical SMILES for N-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide is CCCCCCN1CCC2(CC1)CC(=O)c1cc(NS(C)(=O)=O)ccc1O2.
What is the InChIKey of N-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide?
The InChIKey is LQBMCHRGOJITHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-3-4-5-6-11-22-12-9-20(10-13-22)15-18(23)17-14-16(21-27(2,24)25)7-8-19(17)26-20/h7-8,14,21H,3-6,9-13,15H2,1-2H3.
What are the key properties of N-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide?
N-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide has a molecular weight of 394.54 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide is sourced from PubChem (CID 19045333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).