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

C19H30N2O3S — CID 24758940

IUPACN-methyl-N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(C)CCCC1CC2(CCNCC2)Oc2ccccc21
InChIInChI=1S/C19H30N2O3S/c1-3-25(22,23)21(2)14-6-7-16-15-19(10-12-20-13-11-19)24-18-9-5-4-8-17(16)18/h4-5,8-9,16,20H,3,6-7,10-15H2,1-2H3
InChIKeyVCLAOYWMOPIAIK-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.74
Rot. Bonds6

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

N-methyl-N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide (PubChem CID 24758940) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-methyl-N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide
PubChem CID24758940
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-methyl-N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(C)CCCC1CC2(CCNCC2)Oc2ccccc21
InChIInChI=1S/C19H30N2O3S/c1-3-25(22,23)21(2)14-6-7-16-15-19(10-12-20-13-11-19)24-18-9-5-4-8-17(16)18/h4-5,8-9,16,20H,3,6-7,10-15H2,1-2H3
InChIKeyVCLAOYWMOPIAIK-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide?
The IUPAC name of N-methyl-N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide (CID 24758940) is N-methyl-N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide.
What is the SMILES notation for N-methyl-N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide?
The canonical SMILES for N-methyl-N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide is CCS(=O)(=O)N(C)CCCC1CC2(CCNCC2)Oc2ccccc21.
What is the InChIKey of N-methyl-N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide?
The InChIKey is VCLAOYWMOPIAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-3-25(22,23)21(2)14-6-7-16-15-19(10-12-20-13-11-19)24-18-9-5-4-8-17(16)18/h4-5,8-9,16,20H,3,6-7,10-15H2,1-2H3.
What are the key properties of N-methyl-N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide?
N-methyl-N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylpropyl)ethanesulfonamide is sourced from PubChem (CID 24758940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).