N-[2-[(3-methyl-2-bicyclo[3.3.1]non-4-enyl)amino]ethyl]ethanesulfonamide

C14H26N2O2S — CID 166814885

IUPACN-[2-[(3-methyl-2-bicyclo[3.3.1]non-4-enyl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNC1C(C)C=C2CCCC1C2
InChIInChI=1S/C14H26N2O2S/c1-3-19(17,18)16-8-7-15-14-11(2)9-12-5-4-6-13(14)10-12/h9,11,13-16H,3-8,10H2,1-2H3
InChIKeyVQHMWZRRNUERQF-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.65
Rot. Bonds6

About N-[2-[(3-methyl-2-bicyclo[3.3.1]non-4-enyl)amino]ethyl]ethanesulfonamide

N-[2-[(3-methyl-2-bicyclo[3.3.1]non-4-enyl)amino]ethyl]ethanesulfonamide (PubChem CID 166814885) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[2-[(3-methyl-2-bicyclo[3.3.1]non-4-enyl)amino]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-2-bicyclo[3.3.1]non-4-enyl)amino]ethyl]ethanesulfonamide
PubChem CID166814885
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-[2-[(3-methyl-2-bicyclo[3.3.1]non-4-enyl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNC1C(C)C=C2CCCC1C2
InChIInChI=1S/C14H26N2O2S/c1-3-19(17,18)16-8-7-15-14-11(2)9-12-5-4-6-13(14)10-12/h9,11,13-16H,3-8,10H2,1-2H3
InChIKeyVQHMWZRRNUERQF-UHFFFAOYSA-N
XLogP1.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-2-bicyclo[3.3.1]non-4-enyl)amino]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[(3-methyl-2-bicyclo[3.3.1]non-4-enyl)amino]ethyl]ethanesulfonamide (CID 166814885) is N-[2-[(3-methyl-2-bicyclo[3.3.1]non-4-enyl)amino]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(3-methyl-2-bicyclo[3.3.1]non-4-enyl)amino]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[(3-methyl-2-bicyclo[3.3.1]non-4-enyl)amino]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCNC1C(C)C=C2CCCC1C2.
What is the InChIKey of N-[2-[(3-methyl-2-bicyclo[3.3.1]non-4-enyl)amino]ethyl]ethanesulfonamide?
The InChIKey is VQHMWZRRNUERQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-3-19(17,18)16-8-7-15-14-11(2)9-12-5-4-6-13(14)10-12/h9,11,13-16H,3-8,10H2,1-2H3.
What are the key properties of N-[2-[(3-methyl-2-bicyclo[3.3.1]non-4-enyl)amino]ethyl]ethanesulfonamide?
N-[2-[(3-methyl-2-bicyclo[3.3.1]non-4-enyl)amino]ethyl]ethanesulfonamide has a molecular weight of 286.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-2-bicyclo[3.3.1]non-4-enyl)amino]ethyl]ethanesulfonamide is sourced from PubChem (CID 166814885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).