lithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride

C46H54AlLiN4O5S4 — CID 160951183

IUPAClithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride
SMILESCC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)Cc3csc4ccccc34)CC21.CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(CCc3csc4ccccc34)CC21.[AlH3].[H-].[Li+]
InChIInChI=1S/C23H24N2O3S2.C23H26N2O2S2.Al.Li.4H/c1-23(16-6-5-7-17(11-16)24-30(2,27)28)19-12-25(13-20(19)23)22(26)10-15-14-29-21-9-4-3-8-18(15)21;1-23(17-6-5-7-18(12-17)24-29(2,26)27)20-13-25(14-21(20)23)11-10-16-15-28-22-9-4-3-8-19(16)22;;;;;;/h3-9,11,14,19-20,24H,10,12-13H2,1-2H3;3-9,12,15,20-21,24H,10-11,13-14H2,1-2H3;;;;;;/q;;;+1;;;;-1
InChIKeyGZNIGGLGQJFOPH-UHFFFAOYSA-N
MW905.15 g/mol
LogP4.13
Rot. Bonds11

About lithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride

lithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride (PubChem CID 160951183) has the molecular formula C46H54AlLiN4O5S4 and a molecular weight of 905.15 g/mol. Its IUPAC name is lithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride.

Molecular Properties

Compound Namelithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride
PubChem CID160951183
Molecular FormulaC46H54AlLiN4O5S4
Molecular Weight905.15 g/mol
Exact Mass904.30
IUPAC Namelithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride
SMILESCC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)Cc3csc4ccccc34)CC21.CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(CCc3csc4ccccc34)CC21.[AlH3].[H-].[Li+]
InChIInChI=1S/C23H24N2O3S2.C23H26N2O2S2.Al.Li.4H/c1-23(16-6-5-7-17(11-16)24-30(2,27)28)19-12-25(13-20(19)23)22(26)10-15-14-29-21-9-4-3-8-18(15)21;1-23(17-6-5-7-18(12-17)24-29(2,26)27)20-13-25(14-21(20)23)11-10-16-15-28-22-9-4-3-8-19(16)22;;;;;;/h3-9,11,14,19-20,24H,10,12-13H2,1-2H3;3-9,12,15,20-21,24H,10-11,13-14H2,1-2H3;;;;;;/q;;;+1;;;;-1
InChIKeyGZNIGGLGQJFOPH-UHFFFAOYSA-N
XLogP4.13
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500905.15
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze lithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride?
The IUPAC name of lithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride (CID 160951183) is lithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride.
What is the SMILES notation for lithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride?
The canonical SMILES for lithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride is CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)Cc3csc4ccccc34)CC21.CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(CCc3csc4ccccc34)CC21.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride?
The InChIKey is GZNIGGLGQJFOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2.C23H26N2O2S2.Al.Li.4H/c1-23(16-6-5-7-17(11-16)24-30(2,27)28)19-12-25(13-20(19)23)22(26)10-15-14-29-21-9-4-3-8-18(15)21;1-23(17-6-5-7-18(12-17)24-29(2,26)27)20-13-25(14-21(20)23)11-10-16-15-28-22-9-4-3-8-19(16)22;;;;;;/h3-9,11,14,19-20,24H,10,12-13H2,1-2H3;3-9,12,15,20-21,24H,10-11,13-14H2,1-2H3;;;;;;/q;;;+1;;;;-1.
What are the key properties of lithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride?
lithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride has a molecular weight of 905.15 g/mol, XLogP of 4.13, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;N-[3-[3-[2-(1-benzothiophen-3-yl)acetyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[2-(1-benzothiophen-3-yl)ethyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride is sourced from PubChem (CID 160951183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).