2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide

C9H23N3O5S2 — CID 120717495

IUPAC2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCS(=O)(=O)NCCNCCOC
InChIInChI=1S/C9H23N3O5S2/c1-3-18(13,14)12-7-9-19(15,16)11-5-4-10-6-8-17-2/h10-12H,3-9H2,1-2H3
InChIKeyUKWKLMLAJWNGSK-UHFFFAOYSA-N
MW317.43 g/mol
LogP-1.92
Rot. Bonds12

About 2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide

2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide (PubChem CID 120717495) has the molecular formula C9H23N3O5S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide
PubChem CID120717495
Molecular FormulaC9H23N3O5S2
Molecular Weight317.43 g/mol
Exact Mass317.11
IUPAC Name2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCS(=O)(=O)NCCNCCOC
InChIInChI=1S/C9H23N3O5S2/c1-3-18(13,14)12-7-9-19(15,16)11-5-4-10-6-8-17-2/h10-12H,3-9H2,1-2H3
InChIKeyUKWKLMLAJWNGSK-UHFFFAOYSA-N
XLogP-1.92
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide
CID 120716053
methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate
CID 83039400
N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide
CID 83039199
N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride
CID 120717380
N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide
CID 106092786
N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide
CID 83039103
1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717866
N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide
CID 104594111
N-ethylsulfonyl-2-(2-methoxyethylamino)acetamide
CID 103306916
N-[2-(propylamino)ethyl]butane-1-sulfonamide
CID 62663882
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide?
The IUPAC name of 2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide (CID 120717495) is 2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCS(=O)(=O)NCCNCCOC.
What is the InChIKey of 2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide?
The InChIKey is UKWKLMLAJWNGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O5S2/c1-3-18(13,14)12-7-9-19(15,16)11-5-4-10-6-8-17-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide?
2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide has a molecular weight of 317.43 g/mol, XLogP of -1.92, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide is sourced from PubChem (CID 120717495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).