N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide

C8H20N2O3S — CID 83039103

IUPACN-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide
SMILESCOCCNCCNS(=O)(=O)C(C)C
InChIInChI=1S/C8H20N2O3S/c1-8(2)14(11,12)10-5-4-9-6-7-13-3/h8-10H,4-7H2,1-3H3
InChIKeyHORLACJVWJFKAU-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.45
Rot. Bonds8

About N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide

N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide (PubChem CID 83039103) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide
PubChem CID83039103
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide
SMILESCOCCNCCNS(=O)(=O)C(C)C
InChIInChI=1S/C8H20N2O3S/c1-8(2)14(11,12)10-5-4-9-6-7-13-3/h8-10H,4-7H2,1-3H3
InChIKeyHORLACJVWJFKAU-UHFFFAOYSA-N
XLogP-0.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.45
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-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide
CID 146542197
N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide
CID 106245719
2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide
CID 120717495
N-[2-(2-methoxyethylamino)ethyl]cyclohexanesulfonamide
CID 83039706
N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 120717422
N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120717757
4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717880
methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate
CID 83039400
N-[2-(2-methoxyethylamino)ethyl]morpholine-4-sulfonamide;hydrochloride
CID 120717809
3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039490
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717866

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide (CID 83039103) is N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide is COCCNCCNS(=O)(=O)C(C)C.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide?
The InChIKey is HORLACJVWJFKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-8(2)14(11,12)10-5-4-9-6-7-13-3/h8-10H,4-7H2,1-3H3.
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide?
N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide has a molecular weight of 224.33 g/mol, XLogP of -0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 83039103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).