N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide

C18H28N2O3S — CID 24758939

IUPACN-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCC1CC2(CCNCC2)Oc2ccccc21
InChIInChI=1S/C18H28N2O3S/c1-2-24(21,22)20-11-5-6-15-14-18(9-12-19-13-10-18)23-17-8-4-3-7-16(15)17/h3-4,7-8,15,19-20H,2,5-6,9-14H2,1H3
InChIKeyUQWAHIHFJPIIIR-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.39
Rot. Bonds6

About N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide

N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide (PubChem CID 24758939) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide
PubChem CID24758939
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCC1CC2(CCNCC2)Oc2ccccc21
InChIInChI=1S/C18H28N2O3S/c1-2-24(21,22)20-11-5-6-15-14-18(9-12-19-13-10-18)23-17-8-4-3-7-16(15)17/h3-4,7-8,15,19-20H,2,5-6,9-14H2,1H3
InChIKeyUQWAHIHFJPIIIR-UHFFFAOYSA-N
XLogP2.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide?
The IUPAC name of N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide (CID 24758939) is N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide.
What is the SMILES notation for N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide?
The canonical SMILES for N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide is CCS(=O)(=O)NCCCC1CC2(CCNCC2)Oc2ccccc21.
What is the InChIKey of N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide?
The InChIKey is UQWAHIHFJPIIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-2-24(21,22)20-11-5-6-15-14-18(9-12-19-13-10-18)23-17-8-4-3-7-16(15)17/h3-4,7-8,15,19-20H,2,5-6,9-14H2,1H3.
What are the key properties of N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide?
N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide is sourced from PubChem (CID 24758939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).