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

C25H34ClN3O4S — CID 138394867

IUPACN-[(4R)-1'-[(2R)-6-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc2c(c1)[C@H](O)CC1(CCN([C@@H]3CCc4cc(CN)ccc4C3)CC1)O2.Cl
InChIInChI=1S/C25H33N3O4S.ClH/c1-33(30,31)27-20-5-7-24-22(14-20)23(29)15-25(32-24)8-10-28(11-9-25)21-6-4-18-12-17(16-26)2-3-19(18)13-21;/h2-3,5,7,12,14,21,23,27,29H,4,6,8-11,13,15-16,26H2,1H3;1H/t21-,23-;/m1./s1
InChIKeyRFXXUUGBMLCCFW-BLDCTAJRSA-N
MW508.08 g/mol
LogP3.15
Rot. Bonds4

About 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

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 (PubChem CID 138394867) has the molecular formula C25H34ClN3O4S and a molecular weight of 508.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(4R)-1'-[(2R)-6-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
PubChem CID138394867
Molecular FormulaC25H34ClN3O4S
Molecular Weight508.08 g/mol
Exact Mass507.20
IUPAC NameN-[(4R)-1'-[(2R)-6-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc2c(c1)[C@H](O)CC1(CCN([C@@H]3CCc4cc(CN)ccc4C3)CC1)O2.Cl
InChIInChI=1S/C25H33N3O4S.ClH/c1-33(30,31)27-20-5-7-24-22(14-20)23(29)15-25(32-24)8-10-28(11-9-25)21-6-4-18-12-17(16-26)2-3-19(18)13-21;/h2-3,5,7,12,14,21,23,27,29H,4,6,8-11,13,15-16,26H2,1H3;1H/t21-,23-;/m1./s1
InChIKeyRFXXUUGBMLCCFW-BLDCTAJRSA-N
XLogP3.15
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.08
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-[(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'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride
CID 67705289
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[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide
CID 19045306
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-[1'-(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)spiro[chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
CID 19045458
N-[4-(ethylamino)-1'-hexylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride
CID 19045551
1'-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4,6-diol
CID 46966092
(4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 104951108
(4R)-1'-[(2R)-2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4,6-diol
CID 51503826
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 59620250

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CS(=O)(=O)Nc1ccc2c(c1)[C@H](O)CC1(CCN([C@@H]3CCc4cc(CN)ccc4C3)CC1)O2.Cl.
What is the InChIKey of 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?
The InChIKey is RFXXUUGBMLCCFW-BLDCTAJRSA-N. The full InChI is InChI=1S/C25H33N3O4S.ClH/c1-33(30,31)27-20-5-7-24-22(14-20)23(29)15-25(32-24)8-10-28(11-9-25)21-6-4-18-12-17(16-26)2-3-19(18)13-21;/h2-3,5,7,12,14,21,23,27,29H,4,6,8-11,13,15-16,26H2,1H3;1H/t21-,23-;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 508.08 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138394867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).