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

C26H33ClN2O3S — CID 140742799

IUPACN-[3-[3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride
SMILESCOC1(CN2CC3C(C2)C3(C)c2cccc(NS(=O)(=O)C3CC3)c2)Cc2ccccc2C1.Cl
InChIInChI=1S/C26H32N2O3S.ClH/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;1H
InChIKeyZOUWNUIGRZTQRN-UHFFFAOYSA-N
MW489.08 g/mol
LogP4.02
Rot. Bonds7

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

N-[3-[3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride (PubChem CID 140742799) has the molecular formula C26H33ClN2O3S and a molecular weight of 489.08 g/mol. Its IUPAC name is N-[3-[3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride
PubChem CID140742799
Molecular FormulaC26H33ClN2O3S
Molecular Weight489.08 g/mol
Exact Mass488.19
IUPAC NameN-[3-[3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride
SMILESCOC1(CN2CC3C(C2)C3(C)c2cccc(NS(=O)(=O)C3CC3)c2)Cc2ccccc2C1.Cl
InChIInChI=1S/C26H32N2O3S.ClH/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;1H
InChIKeyZOUWNUIGRZTQRN-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.08
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride?
The IUPAC name of N-[3-[3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride (CID 140742799) is N-[3-[3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-[3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride?
The canonical SMILES for N-[3-[3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride is COC1(CN2CC3C(C2)C3(C)c2cccc(NS(=O)(=O)C3CC3)c2)Cc2ccccc2C1.Cl.
What is the InChIKey of N-[3-[3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride?
The InChIKey is ZOUWNUIGRZTQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3S.ClH/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;1H.
What are the key properties of N-[3-[3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride?
N-[3-[3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride has a molecular weight of 489.08 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide;hydrochloride is sourced from PubChem (CID 140742799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).