N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide

C25H29N3O3S — CID 19045306

IUPACN-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)CCC1(CCN(C3CCc4cc(C#N)ccc4C3)CC1)O2
InChIInChI=1S/C25H29N3O3S/c1-32(29,30)27-22-5-7-24-21(15-22)8-9-25(31-24)10-12-28(13-11-25)23-6-4-19-14-18(17-26)2-3-20(19)16-23/h2-3,5,7,14-15,23,27H,4,6,8-13,16H2,1H3
InChIKeyNJYXPVGGIJADON-UHFFFAOYSA-N
MW451.59 g/mol
LogP3.65
Rot. Bonds3

About N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide

N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide (PubChem CID 19045306) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide
PubChem CID19045306
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)CCC1(CCN(C3CCc4cc(C#N)ccc4C3)CC1)O2
InChIInChI=1S/C25H29N3O3S/c1-32(29,30)27-22-5-7-24-21(15-22)8-9-25(31-24)10-12-28(13-11-25)23-6-4-19-14-18(17-26)2-3-20(19)16-23/h2-3,5,7,14-15,23,27H,4,6,8-13,16H2,1H3
InChIKeyNJYXPVGGIJADON-UHFFFAOYSA-N
XLogP3.65
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide?
The IUPAC name of N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide (CID 19045306) is N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide.
What is the SMILES notation for N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide?
The canonical SMILES for N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)CCC1(CCN(C3CCc4cc(C#N)ccc4C3)CC1)O2.
What is the InChIKey of N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide?
The InChIKey is NJYXPVGGIJADON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-32(29,30)27-22-5-7-24-21(15-22)8-9-25(31-24)10-12-28(13-11-25)23-6-4-19-14-18(17-26)2-3-20(19)16-23/h2-3,5,7,14-15,23,27H,4,6,8-13,16H2,1H3.
What are the key properties of N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide?
N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide has a molecular weight of 451.59 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide is sourced from PubChem (CID 19045306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).