N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide

C11H18N2O2S2 — CID 120708847

IUPACN-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1ccccc1SC
InChIInChI=1S/C11H18N2O2S2/c1-3-12-8-9-13-17(14,15)11-7-5-4-6-10(11)16-2/h4-7,12-13H,3,8-9H2,1-2H3
InChIKeyCIZVEMMPPHFENM-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.30
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide

N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide (PubChem CID 120708847) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide
PubChem CID120708847
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1ccccc1SC
InChIInChI=1S/C11H18N2O2S2/c1-3-12-8-9-13-17(14,15)11-7-5-4-6-10(11)16-2/h4-7,12-13H,3,8-9H2,1-2H3
InChIKeyCIZVEMMPPHFENM-UHFFFAOYSA-N
XLogP1.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120717757
N-(3-aminobutyl)-2-methylsulfanylbenzenesulfonamide
CID 120708577
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933
N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711544
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119973457
N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 119973415
2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120707499
2-bromo-N-[2-(ethylamino)ethyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119973473
3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120708827
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide
CID 86817582
N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide
CID 119973884

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide (CID 120708847) is N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide is CCNCCNS(=O)(=O)c1ccccc1SC.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide?
The InChIKey is CIZVEMMPPHFENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-3-12-8-9-13-17(14,15)11-7-5-4-6-10(11)16-2/h4-7,12-13H,3,8-9H2,1-2H3.
What are the key properties of N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide?
N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide has a molecular weight of 274.41 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 120708847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).