N-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide

C26H32N2O3S — CID 118102413

IUPACN-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide
SMILESCOC1(CN2C[C@@H]3[C@H](C2)C3(C)c2cccc(NS(=O)(=O)C3CC3)c2)Cc2ccccc2C1
InChIInChI=1S/C26H32N2O3S/c1-25(20-8-5-9-21(12-20)27-32(29,30)22-10-11-22)23-15-28(16-24(23)25)17-26(31-2)13-18-6-3-4-7-19(18)14-26/h3-9,12,22-24,27H,10-11,13-17H2,1-2H3/t23-,24+,25?
InChIKeyTUUFKMWBYQUCBX-XMGLRAKGSA-N
MW452.62 g/mol
LogP3.59
Rot. Bonds7

About N-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide

N-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide (PubChem CID 118102413) has the molecular formula C26H32N2O3S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide
PubChem CID118102413
Molecular FormulaC26H32N2O3S
Molecular Weight452.62 g/mol
Exact Mass452.21
IUPAC NameN-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide
SMILESCOC1(CN2C[C@@H]3[C@H](C2)C3(C)c2cccc(NS(=O)(=O)C3CC3)c2)Cc2ccccc2C1
InChIInChI=1S/C26H32N2O3S/c1-25(20-8-5-9-21(12-20)27-32(29,30)22-10-11-22)23-15-28(16-24(23)25)17-26(31-2)13-18-6-3-4-7-19(18)14-26/h3-9,12,22-24,27H,10-11,13-17H2,1-2H3/t23-,24+,25?
InChIKeyTUUFKMWBYQUCBX-XMGLRAKGSA-N
XLogP3.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide (CID 118102413) is N-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide is COC1(CN2C[C@@H]3[C@H](C2)C3(C)c2cccc(NS(=O)(=O)C3CC3)c2)Cc2ccccc2C1.
What is the InChIKey of N-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide?
The InChIKey is TUUFKMWBYQUCBX-XMGLRAKGSA-N. The full InChI is InChI=1S/C26H32N2O3S/c1-25(20-8-5-9-21(12-20)27-32(29,30)22-10-11-22)23-15-28(16-24(23)25)17-26(31-2)13-18-6-3-4-7-19(18)14-26/h3-9,12,22-24,27H,10-11,13-17H2,1-2H3/t23-,24+,25?.
What are the key properties of N-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide?
N-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide has a molecular weight of 452.62 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R,5S)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 118102413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).