2-(benzylamino)-N-cyclohexylethanesulfonamide

C15H24N2O2S — CID 45479973

IUPAC2-(benzylamino)-N-cyclohexylethanesulfonamide
SMILESO=S(=O)(CCNCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C15H24N2O2S/c18-20(19,17-15-9-5-2-6-10-15)12-11-16-13-14-7-3-1-4-8-14/h1,3-4,7-8,15-17H,2,5-6,9-13H2
InChIKeyVQIQWXOKOWKVMS-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.03
Rot. Bonds7

About 2-(benzylamino)-N-cyclohexylethanesulfonamide

2-(benzylamino)-N-cyclohexylethanesulfonamide (PubChem CID 45479973) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(benzylamino)-N-cyclohexylethanesulfonamide.

Molecular Properties

Compound Name2-(benzylamino)-N-cyclohexylethanesulfonamide
PubChem CID45479973
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(benzylamino)-N-cyclohexylethanesulfonamide
SMILESO=S(=O)(CCNCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C15H24N2O2S/c18-20(19,17-15-9-5-2-6-10-15)12-11-16-13-14-7-3-1-4-8-14/h1,3-4,7-8,15-17H,2,5-6,9-13H2
InChIKeyVQIQWXOKOWKVMS-UHFFFAOYSA-N
XLogP2.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(Methylamino)ethyl]benzene-1-sulfonamide
CID 4961836
4-(Aminomethyl)benzenemethanesulfonamide
CID 9167228
N-Benzyl-2-((phenylmethyl)sulfonamido)acetamide
CID 9104171
1-Benzyl-4-(benzylsulfonyl)piperazine
CID 669283
4-{2-[(2-Fluorobenzyl)amino]ethyl}benzenesulfonamide
CID 1817956
4-[2-(Benzylamino)ethyl]benzenesulfonamide
CID 4718084
4-{2-[(4-Fluorobenzyl)amino]ethyl}benzenesulfonamide
CID 4718105
N-{[1-(3,4-difluorobenzyl)piperidin-3-yl]methyl}-1-phenylmethanesulfonamide
CID 16189447
N-[2-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404538
Ethanesulfonic acid biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amide
CID 44578267
Propane-1-sulfonic acid biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amide
CID 44578268
Propane-2-sulfonic acid biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amide
CID 44578314

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-cyclohexylethanesulfonamide?
The IUPAC name of 2-(benzylamino)-N-cyclohexylethanesulfonamide (CID 45479973) is 2-(benzylamino)-N-cyclohexylethanesulfonamide.
What is the SMILES notation for 2-(benzylamino)-N-cyclohexylethanesulfonamide?
The canonical SMILES for 2-(benzylamino)-N-cyclohexylethanesulfonamide is O=S(=O)(CCNCc1ccccc1)NC1CCCCC1.
What is the InChIKey of 2-(benzylamino)-N-cyclohexylethanesulfonamide?
The InChIKey is VQIQWXOKOWKVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c18-20(19,17-15-9-5-2-6-10-15)12-11-16-13-14-7-3-1-4-8-14/h1,3-4,7-8,15-17H,2,5-6,9-13H2.
What are the key properties of 2-(benzylamino)-N-cyclohexylethanesulfonamide?
2-(benzylamino)-N-cyclohexylethanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-cyclohexylethanesulfonamide is sourced from PubChem (CID 45479973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).