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

C28H34N4O4S2 — CID 70073595

IUPACN-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-6-(methanesulfinamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methylsulfinylacetamide
SMILESCS(=O)CC(=O)NC1CC2(CCN(C3CCc4cc(C#N)ccc4C3)CC2)Oc2ccc(NS(C)=O)cc21
InChIInChI=1S/C28H34N4O4S2/c1-37(34)18-27(33)30-25-16-28(36-26-8-6-22(15-24(25)26)31-38(2)35)9-11-32(12-10-28)23-7-5-20-13-19(17-29)3-4-21(20)14-23/h3-4,6,8,13,15,23,25,31H,5,7,9-12,14,16,18H2,1-2H3,(H,30,33)
InChIKeyLOSMULAEZBLXAS-UHFFFAOYSA-N
MW554.74 g/mol
LogP2.97
Rot. Bonds6

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

N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-6-(methanesulfinamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methylsulfinylacetamide (PubChem CID 70073595) has the molecular formula C28H34N4O4S2 and a molecular weight of 554.74 g/mol. Its IUPAC name is N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-6-(methanesulfinamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methylsulfinylacetamide.

Molecular Properties

Compound NameN-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-6-(methanesulfinamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methylsulfinylacetamide
PubChem CID70073595
Molecular FormulaC28H34N4O4S2
Molecular Weight554.74 g/mol
Exact Mass554.20
IUPAC NameN-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-6-(methanesulfinamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methylsulfinylacetamide
SMILESCS(=O)CC(=O)NC1CC2(CCN(C3CCc4cc(C#N)ccc4C3)CC2)Oc2ccc(NS(C)=O)cc21
InChIInChI=1S/C28H34N4O4S2/c1-37(34)18-27(33)30-25-16-28(36-26-8-6-22(15-24(25)26)31-38(2)35)9-11-32(12-10-28)23-7-5-20-13-19(17-29)3-4-21(20)14-23/h3-4,6,8,13,15,23,25,31H,5,7,9-12,14,16,18H2,1-2H3,(H,30,33)
InChIKeyLOSMULAEZBLXAS-UHFFFAOYSA-N
XLogP2.97
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.74
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-6-(methanesulfinamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methylsulfinylacetamide with MolForge

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Related Compounds

N-[(4S)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(methanesulfonamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-hydroxybutanamide
CID 67705298
N-[(4S)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(methanesulfonamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]methanesulfonamide;hydrochloride
CID 67705404
N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide
CID 19045306
N-[(4R)-1'-[(2R)-6-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
CID 138394867
N-[(4S)-4-hydroxy-1'-(1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
CID 67705328
N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
CID 19045458
6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 19045357
6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 58916989
(6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 10445028
N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 144805024
N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride
CID 67705289
3,3,3-trifluoro-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)propanamide
CID 131643090

Frequently Asked Questions

What is the IUPAC name of N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-6-(methanesulfinamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methylsulfinylacetamide?
The IUPAC name of N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-6-(methanesulfinamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methylsulfinylacetamide (CID 70073595) is N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-6-(methanesulfinamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methylsulfinylacetamide.
What is the SMILES notation for N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-6-(methanesulfinamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methylsulfinylacetamide?
The canonical SMILES for N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-6-(methanesulfinamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methylsulfinylacetamide is CS(=O)CC(=O)NC1CC2(CCN(C3CCc4cc(C#N)ccc4C3)CC2)Oc2ccc(NS(C)=O)cc21.
What is the InChIKey of N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-6-(methanesulfinamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methylsulfinylacetamide?
The InChIKey is LOSMULAEZBLXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4S2/c1-37(34)18-27(33)30-25-16-28(36-26-8-6-22(15-24(25)26)31-38(2)35)9-11-32(12-10-28)23-7-5-20-13-19(17-29)3-4-21(20)14-23/h3-4,6,8,13,15,23,25,31H,5,7,9-12,14,16,18H2,1-2H3,(H,30,33).
What are the key properties of N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-6-(methanesulfinamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methylsulfinylacetamide?
N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-6-(methanesulfinamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methylsulfinylacetamide has a molecular weight of 554.74 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-6-(methanesulfinamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methylsulfinylacetamide is sourced from PubChem (CID 70073595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).