2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide

C26H34N2O3S — CID 144848100

IUPAC2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide
SMILESCCC1C2CN(CC3(O)Cc4ccccc4C3)CC12.O=S(=O)(Nc1ccccc1)C1CC1
InChIInChI=1S/C17H23NO.C9H11NO2S/c1-2-14-15-9-18(10-16(14)15)11-17(19)7-12-5-3-4-6-13(12)8-17;11-13(12,9-6-7-9)10-8-4-2-1-3-5-8/h3-6,14-16,19H,2,7-11H2,1H3;1-5,9-10H,6-7H2
InChIKeyQQXFDFPHSLNTAG-UHFFFAOYSA-N
MW454.64 g/mol
LogP3.69
Rot. Bonds6

About 2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide

2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide (PubChem CID 144848100) has the molecular formula C26H34N2O3S and a molecular weight of 454.64 g/mol. Its IUPAC name is 2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide.

Molecular Properties

Compound Name2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide
PubChem CID144848100
Molecular FormulaC26H34N2O3S
Molecular Weight454.64 g/mol
Exact Mass454.23
IUPAC Name2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide
SMILESCCC1C2CN(CC3(O)Cc4ccccc4C3)CC12.O=S(=O)(Nc1ccccc1)C1CC1
InChIInChI=1S/C17H23NO.C9H11NO2S/c1-2-14-15-9-18(10-16(14)15)11-17(19)7-12-5-3-4-6-13(12)8-17;11-13(12,9-6-7-9)10-8-4-2-1-3-5-8/h3-6,14-16,19H,2,7-11H2,1H3;1-5,9-10H,6-7H2
InChIKeyQQXFDFPHSLNTAG-UHFFFAOYSA-N
XLogP3.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4,4-difluoro-1-methoxycyclohexyl)propyl]-6-ethyl-3-azabicyclo[3.1.0]hexane;N-phenylcyclopropanesulfonamide
CID 144848089
N-[3-[(1R,5S)-6-ethyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide
CID 122552741
N-[3-[3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-propyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 22139888
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
N-[3-[8-hydroxy-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-azabicyclo[3.2.1]octan-8-yl]phenyl]methanesulfonamide
CID 69426416
N-[3-[6-ethyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-fluorophenyl]cyclopropanesulfonamide;hydrochloride
CID 140742828
N-[3-cyano-5-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 22139876
N-[3-[3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-methoxyethanesulfonamide
CID 90880447
N-[3-[(1R,5R,6R)-1-amino-6-ethyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide
CID 146924970
N-[3-[3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenyl]acetamide
CID 11177634
N-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide
CID 122148046
3-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide
CID 10231573

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide?
The IUPAC name of 2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide (CID 144848100) is 2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide.
What is the SMILES notation for 2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide?
The canonical SMILES for 2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide is CCC1C2CN(CC3(O)Cc4ccccc4C3)CC12.O=S(=O)(Nc1ccccc1)C1CC1.
What is the InChIKey of 2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide?
The InChIKey is QQXFDFPHSLNTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO.C9H11NO2S/c1-2-14-15-9-18(10-16(14)15)11-17(19)7-12-5-3-4-6-13(12)8-17;11-13(12,9-6-7-9)10-8-4-2-1-3-5-8/h3-6,14-16,19H,2,7-11H2,1H3;1-5,9-10H,6-7H2.
What are the key properties of 2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide?
2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide has a molecular weight of 454.64 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-dihydroinden-2-ol;N-phenylcyclopropanesulfonamide is sourced from PubChem (CID 144848100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).