lithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide

C42H56AlLiN6O5S2 — CID 162175020

IUPAClithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
SMILESCC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)CCc3ccccn3)CC21.CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(CCCc3ccccn3)CC21.[AlH3].[H-].[Li+]
InChIInChI=1S/C21H25N3O3S.C21H27N3O2S.Al.Li.4H/c1-21(15-6-5-8-17(12-15)23-28(2,26)27)18-13-24(14-19(18)21)20(25)10-9-16-7-3-4-11-22-16;1-21(16-7-5-9-18(13-16)23-27(2,25)26)19-14-24(15-20(19)21)12-6-10-17-8-3-4-11-22-17;;;;;;/h3-8,11-12,18-19,23H,9-10,13-14H2,1-2H3;3-5,7-9,11,13,19-20,23H,6,10,12,14-15H2,1-2H3;;;;;;/q;;;+1;;;;-1
InChIKeyOEVBZTIQIJVDNT-UHFFFAOYSA-N
MW823.00 g/mol
LogP1.27
Rot. Bonds13

About lithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide

lithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide (PubChem CID 162175020) has the molecular formula C42H56AlLiN6O5S2 and a molecular weight of 823.00 g/mol. Its IUPAC name is lithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Namelithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
PubChem CID162175020
Molecular FormulaC42H56AlLiN6O5S2
Molecular Weight823.00 g/mol
Exact Mass822.37
IUPAC Namelithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
SMILESCC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)CCc3ccccn3)CC21.CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(CCCc3ccccn3)CC21.[AlH3].[H-].[Li+]
InChIInChI=1S/C21H25N3O3S.C21H27N3O2S.Al.Li.4H/c1-21(15-6-5-8-17(12-15)23-28(2,26)27)18-13-24(14-19(18)21)20(25)10-9-16-7-3-4-11-22-16;1-21(16-7-5-9-18(13-16)23-27(2,25)26)19-14-24(15-20(19)21)12-6-10-17-8-3-4-11-22-17;;;;;;/h3-8,11-12,18-19,23H,9-10,13-14H2,1-2H3;3-5,7-9,11,13,19-20,23H,6,10,12,14-15H2,1-2H3;;;;;;/q;;;+1;;;;-1
InChIKeyOEVBZTIQIJVDNT-UHFFFAOYSA-N
XLogP1.27
TPSA141.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms57
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500823.00
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze lithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide with MolForge

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Related Compounds

N-[3-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;3-pyridin-2-ylpropanoic acid
CID 161192220
lithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride
CID 159455972
lithium;alumane;hydride;N-[3-[6-methyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-[(E)-3-pyridin-2-ylprop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 160767382
3-[3-[3-(2,6-dichlorophenyl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline
CID 59898046
N-[3-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide;2-(1-methylindol-3-yl)acetic acid;N-[3-[6-methyl-3-[2-(1-methylindol-3-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 162044329
N-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 22141304
N-[3-[(1R,5S)-3-hexyl-6-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 57391421
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
lithium;alumane;N-[3-(3-hexyl-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]-2-hydroxyethanesulfonamide;N-[3-(3-hexyl-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]-2-oxopropane-1-sulfonamide;hydride;molecular hydrogen
CID 161456647
2-(2-bromoethyl)naphthalene;N-[3-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide;N-[3-[6-methyl-3-(2-naphthalen-2-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 158448759
benzyl 4-[6-ethyl-6-[3-(methanesulfonamido)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoate
CID 59113259
1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 72919697

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The IUPAC name of lithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide (CID 162175020) is lithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for lithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for lithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide is CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)CCc3ccccn3)CC21.CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(CCCc3ccccn3)CC21.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The InChIKey is OEVBZTIQIJVDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S.C21H27N3O2S.Al.Li.4H/c1-21(15-6-5-8-17(12-15)23-28(2,26)27)18-13-24(14-19(18)21)20(25)10-9-16-7-3-4-11-22-16;1-21(16-7-5-9-18(13-16)23-27(2,25)26)19-14-24(15-20(19)21)12-6-10-17-8-3-4-11-22-17;;;;;;/h3-8,11-12,18-19,23H,9-10,13-14H2,1-2H3;3-5,7-9,11,13,19-20,23H,6,10,12,14-15H2,1-2H3;;;;;;/q;;;+1;;;;-1.
What are the key properties of lithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
lithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide has a molecular weight of 823.00 g/mol, XLogP of 1.27, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;hydride;N-[3-[6-methyl-3-(3-pyridin-2-ylpropanoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[6-methyl-3-(3-pyridin-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 162175020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).