N-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide

C20H32N2O2S — CID 57398433

IUPACN-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
SMILESCCCCCCN1C[C@@H]2[C@H](C1)C2(CC)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C20H32N2O2S/c1-4-6-7-8-12-22-14-18-19(15-22)20(18,5-2)16-10-9-11-17(13-16)21-25(3,23)24/h9-11,13,18-19,21H,4-8,12,14-15H2,1-3H3/t18-,19+,20?
InChIKeyUQSVQFROXHNXQA-YOFSQIOKSA-N
MW364.56 g/mol
LogP3.85
Rot. Bonds9

About N-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide

N-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide (PubChem CID 57398433) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is N-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
PubChem CID57398433
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC NameN-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
SMILESCCCCCCN1C[C@@H]2[C@H](C1)C2(CC)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C20H32N2O2S/c1-4-6-7-8-12-22-14-18-19(15-22)20(18,5-2)16-10-9-11-17(13-16)21-25(3,23)24/h9-11,13,18-19,21H,4-8,12,14-15H2,1-3H3/t18-,19+,20?
InChIKeyUQSVQFROXHNXQA-YOFSQIOKSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide (CID 57398433) is N-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide is CCCCCCN1C[C@@H]2[C@H](C1)C2(CC)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
The InChIKey is UQSVQFROXHNXQA-YOFSQIOKSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-4-6-7-8-12-22-14-18-19(15-22)20(18,5-2)16-10-9-11-17(13-16)21-25(3,23)24/h9-11,13,18-19,21H,4-8,12,14-15H2,1-3H3/t18-,19+,20?.
What are the key properties of N-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide?
N-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide has a molecular weight of 364.56 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R,5S)-6-ethyl-3-hexyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 57398433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).