N-[3-(6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide

C17H24N2O2S — CID 59113232

IUPACN-[3-(6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide
SMILESC=CCN1CC2C(C1)C2(CC)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H24N2O2S/c1-4-9-19-11-15-16(12-19)17(15,5-2)13-7-6-8-14(10-13)18-22(3,20)21/h4,6-8,10,15-16,18H,1,5,9,11-12H2,2-3H3
InChIKeyFUNUSDVDWNJFGY-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.45
Rot. Bonds6

About N-[3-(6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide

N-[3-(6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide (PubChem CID 59113232) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[3-(6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide
PubChem CID59113232
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-[3-(6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide
SMILESC=CCN1CC2C(C1)C2(CC)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H24N2O2S/c1-4-9-19-11-15-16(12-19)17(15,5-2)13-7-6-8-14(10-13)18-22(3,20)21/h4,6-8,10,15-16,18H,1,5,9,11-12H2,2-3H3
InChIKeyFUNUSDVDWNJFGY-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-ylmethyl)-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 57345568
N-[3-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 57400106
4-propan-2-yl-N-[4-[(1R,5S)-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]benzenesulfonamide
CID 16123138
N-[4-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 16123140
N-[4-[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 16123241
N-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 57398433
N-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide
CID 11196451
N-(3-pyrrolidin-3-ylphenyl)ethanesulfonamide
CID 11736917
N-[3-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 56670013
N-[3-[(1R,5S)-6-methyl-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 56673522
N-[3-[(1R,5S)-3-hexyl-6-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 57391421
N-[3-[(1R,5S)-3-hexyl-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 57393187

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide (CID 59113232) is N-[3-(6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide is C=CCN1CC2C(C1)C2(CC)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-(6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide?
The InChIKey is FUNUSDVDWNJFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-4-9-19-11-15-16(12-19)17(15,5-2)13-7-6-8-14(10-13)18-22(3,20)21/h4,6-8,10,15-16,18H,1,5,9,11-12H2,2-3H3.
What are the key properties of N-[3-(6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide?
N-[3-(6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide has a molecular weight of 320.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 59113232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).