N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide

C13H22N2O2S — CID 47364182

IUPACN-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide
SMILESCCC(C)(C)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-4-13(2,3)14-10-11-15-18(16,17)12-8-6-5-7-9-12/h5-9,14-15H,4,10-11H2,1-3H3
InChIKeyBGGNWUMVQVZNLY-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.74
Rot. Bonds7

About N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide

N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 47364182) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide
PubChem CID47364182
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide
SMILESCCC(C)(C)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-4-13(2,3)14-10-11-15-18(16,17)12-8-6-5-7-9-12/h5-9,14-15H,4,10-11H2,1-3H3
InChIKeyBGGNWUMVQVZNLY-UHFFFAOYSA-N
XLogP1.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.74
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

N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-tridecylbenzenesulfonamide
CID 3514704
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
N-[3-(aminomethyl)-3-ethylpentyl]benzenesulfonamide
CID 173233939
N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
CID 133335037
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide
CID 119975856
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride
CID 119990180
6-(benzenesulfonamido)-4,4-dimethylhexanoic acid
CID 65284771
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide (CID 47364182) is N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide is CCC(C)(C)NCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is BGGNWUMVQVZNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-13(2,3)14-10-11-15-18(16,17)12-8-6-5-7-9-12/h5-9,14-15H,4,10-11H2,1-3H3.
What are the key properties of N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide?
N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 47364182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).