2-(cyclopropylamino)-N-octylethanesulfonamide

C13H28N2O2S — CID 45480039

IUPAC2-(cyclopropylamino)-N-octylethanesulfonamide
SMILESCCCCCCCCNS(=O)(=O)CCNC1CC1
InChIInChI=1S/C13H28N2O2S/c1-2-3-4-5-6-7-10-15-18(16,17)12-11-14-13-8-9-13/h13-15H,2-12H2,1H3
InChIKeyAQKCYPRFYAESIO-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.02
Rot. Bonds12

About 2-(cyclopropylamino)-N-octylethanesulfonamide

2-(cyclopropylamino)-N-octylethanesulfonamide (PubChem CID 45480039) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-octylethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-octylethanesulfonamide
PubChem CID45480039
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name2-(cyclopropylamino)-N-octylethanesulfonamide
SMILESCCCCCCCCNS(=O)(=O)CCNC1CC1
InChIInChI=1S/C13H28N2O2S/c1-2-3-4-5-6-7-10-15-18(16,17)12-11-14-13-8-9-13/h13-15H,2-12H2,1H3
InChIKeyAQKCYPRFYAESIO-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(cyclopropylamino)-N-octylethanesulfonamide 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 2-(cyclopropylamino)-N-octylethanesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-N-octylethanesulfonamide (CID 45480039) is 2-(cyclopropylamino)-N-octylethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-octylethanesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-N-octylethanesulfonamide is CCCCCCCCNS(=O)(=O)CCNC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-N-octylethanesulfonamide?
The InChIKey is AQKCYPRFYAESIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-2-3-4-5-6-7-10-15-18(16,17)12-11-14-13-8-9-13/h13-15H,2-12H2,1H3.
What are the key properties of 2-(cyclopropylamino)-N-octylethanesulfonamide?
2-(cyclopropylamino)-N-octylethanesulfonamide has a molecular weight of 276.45 g/mol, XLogP of 2.02, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-octylethanesulfonamide is sourced from PubChem (CID 45480039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).