N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride

C12H21ClN2O3S2 — CID 120717757

IUPACN-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccccc1SC.Cl
InChIInChI=1S/C12H20N2O3S2.ClH/c1-17-10-9-13-7-8-14-19(15,16)12-6-4-3-5-11(12)18-2;/h3-6,13-14H,7-10H2,1-2H3;1H
InChIKeyHMUMULVENASDRS-UHFFFAOYSA-N
MW340.90 g/mol
LogP1.34
Rot. Bonds9

About N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride

N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride (PubChem CID 120717757) has the molecular formula C12H21ClN2O3S2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
PubChem CID120717757
Molecular FormulaC12H21ClN2O3S2
Molecular Weight340.90 g/mol
Exact Mass340.07
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccccc1SC.Cl
InChIInChI=1S/C12H20N2O3S2.ClH/c1-17-10-9-13-7-8-14-19(15,16)12-6-4-3-5-11(12)18-2;/h3-6,13-14H,7-10H2,1-2H3;1H
InChIKeyHMUMULVENASDRS-UHFFFAOYSA-N
XLogP1.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide
CID 120708847
2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717320
2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717314
3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 120717735
N-(3-aminobutyl)-2-methylsulfanylbenzenesulfonamide
CID 120708577
2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717723
N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711544
N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 120717968
2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride
CID 120717697
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717462
2-bromo-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120717896
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride (CID 120717757) is N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1ccccc1SC.Cl.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride?
The InChIKey is HMUMULVENASDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2.ClH/c1-17-10-9-13-7-8-14-19(15,16)12-6-4-3-5-11(12)18-2;/h3-6,13-14H,7-10H2,1-2H3;1H.
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride?
N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120717757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).