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

C27H35N3O3S — CID 146924970

About 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

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 (PubChem CID 146924970) has the molecular formula C27H35N3O3S and a molecular weight of 481.66 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 146924970
• Molecular Formula: C27H35N3O3S
• Molecular Weight: 481.66 g/mol
• Exact Mass: 481.24
• IUPAC Name: 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
• SMILES: CC[C@]1(c2cccc(NS(=O)(=O)C3CC3)c2)[C@@H]2CN(CC3(OC)Cc4ccccc4C3)C[C@@]21N
• InChI: InChI=1S/C27H35N3O3S/c1-3-26(21-9-6-10-22(13-21)29-34(31,32)23-11-12-23)24-16-30(18-27(24,26)28)17-25(33-2)14-19-7-4-5-8-20(19)15-25/h4-10,13,23-24,29H,3,11-12,14-18,28H2,1-2H3/t24-,26-,27+/m0/s1
• InChIKey: ADXCFCFXJRVRAR-DOEKTCAHSA-N
• XLogP: 3.07
• TPSA: 84.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.66
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC[C@]1(c2cccc(NS(=O)(=O)C3CC3)c2)[C@@H]2CN(CC3(OC)Cc4ccccc4C3)C[C@@]21N.

What is the InChIKey of 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?

The InChIKey is ADXCFCFXJRVRAR-DOEKTCAHSA-N. The full InChI is InChI=1S/C27H35N3O3S/c1-3-26(21-9-6-10-22(13-21)29-34(31,32)23-11-12-23)24-16-30(18-27(24,26)28)17-25(33-2)14-19-7-4-5-8-20(19)15-25/h4-10,13,23-24,29H,3,11-12,14-18,28H2,1-2H3/t24-,26-,27+/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 481.66 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 146924970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).