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

C26H33ClN4O5S2 — CID 67705404

IUPACN-[(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
SMILESCS(=O)(=O)Nc1ccc2c(c1)[C@@H](NS(C)(=O)=O)CC1(CCN([C@@H]3CCc4cc(C#N)ccc4C3)CC1)O2.Cl
InChIInChI=1S/C26H32N4O5S2.ClH/c1-36(31,32)28-21-6-8-25-23(15-21)24(29-37(2,33)34)16-26(35-25)9-11-30(12-10-26)22-7-5-19-13-18(17-27)3-4-20(19)14-22;/h3-4,6,8,13,15,22,24,28-29H,5,7,9-12,14,16H2,1-2H3;1H/t22-,24+;/m1./s1
InChIKeyDKQDEFNUUYSLSX-UTSIGBCTSA-N
MW581.16 g/mol
LogP3.12
Rot. Bonds5

About 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

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 (PubChem CID 67705404) has the molecular formula C26H33ClN4O5S2 and a molecular weight of 581.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID67705404
Molecular FormulaC26H33ClN4O5S2
Molecular Weight581.16 g/mol
Exact Mass580.16
IUPAC NameN-[(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
SMILESCS(=O)(=O)Nc1ccc2c(c1)[C@@H](NS(C)(=O)=O)CC1(CCN([C@@H]3CCc4cc(C#N)ccc4C3)CC1)O2.Cl
InChIInChI=1S/C26H32N4O5S2.ClH/c1-36(31,32)28-21-6-8-25-23(15-21)24(29-37(2,33)34)16-26(35-25)9-11-30(12-10-26)22-7-5-19-13-18(17-27)3-4-20(19)14-22;/h3-4,6,8,13,15,22,24,28-29H,5,7,9-12,14,16H2,1-2H3;1H/t22-,24+;/m1./s1
InChIKeyDKQDEFNUUYSLSX-UTSIGBCTSA-N
XLogP3.12
TPSA128.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.16
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

N-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide
CID 19045306
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-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
CID 19045458
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)-6-(methanesulfinamido)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-2-methylsulfinylacetamide
CID 70073595
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-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride
CID 67705289
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-[4-(ethylamino)-1'-hexylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride
CID 19045551
N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide
CID 71920585

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CS(=O)(=O)Nc1ccc2c(c1)[C@@H](NS(C)(=O)=O)CC1(CCN([C@@H]3CCc4cc(C#N)ccc4C3)CC1)O2.Cl.
What is the InChIKey of 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?
The InChIKey is DKQDEFNUUYSLSX-UTSIGBCTSA-N. The full InChI is InChI=1S/C26H32N4O5S2.ClH/c1-36(31,32)28-21-6-8-25-23(15-21)24(29-37(2,33)34)16-26(35-25)9-11-30(12-10-26)22-7-5-19-13-18(17-27)3-4-20(19)14-22;/h3-4,6,8,13,15,22,24,28-29H,5,7,9-12,14,16H2,1-2H3;1H/t22-,24+;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 581.16 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67705404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).