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

C9H23N3O4S2 — CID 120716053

IUPAC2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide
SMILESCCCNCCNS(=O)(=O)CCNS(=O)(=O)CC
InChIInChI=1S/C9H23N3O4S2/c1-3-5-10-6-7-11-18(15,16)9-8-12-17(13,14)4-2/h10-12H,3-9H2,1-2H3
InChIKeyUVQFCDVUQMZAGY-UHFFFAOYSA-N
MW301.43 g/mol
LogP-1.16
Rot. Bonds11

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

2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide (PubChem CID 120716053) has the molecular formula C9H23N3O4S2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide
PubChem CID120716053
Molecular FormulaC9H23N3O4S2
Molecular Weight301.43 g/mol
Exact Mass301.11
IUPAC Name2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide
SMILESCCCNCCNS(=O)(=O)CCNS(=O)(=O)CC
InChIInChI=1S/C9H23N3O4S2/c1-3-5-10-6-7-11-18(15,16)9-8-12-17(13,14)4-2/h10-12H,3-9H2,1-2H3
InChIKeyUVQFCDVUQMZAGY-UHFFFAOYSA-N
XLogP-1.16
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(propylamino)ethyl]butane-1-sulfonamide
CID 62663882
2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide
CID 120717495
3-[2-(propylamino)ethylsulfamoyl]propanoic acid
CID 62664050
N-(3-propoxypropyl)-2-(propylamino)ethanesulfonamide
CID 106074238
N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide
CID 106092786
1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55100444
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide
CID 114142609
N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide
CID 103096884
N-[2-(diethylamino)ethyl]-3-(propylamino)propane-1-sulfonamide
CID 114139014
N-(2-sulfamoylethyl)propane-1-sulfonamide
CID 61131733
N-[(4-methoxyphenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106058738
1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride
CID 120716079

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide?
The IUPAC name of 2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide (CID 120716053) is 2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide is CCCNCCNS(=O)(=O)CCNS(=O)(=O)CC.
What is the InChIKey of 2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide?
The InChIKey is UVQFCDVUQMZAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O4S2/c1-3-5-10-6-7-11-18(15,16)9-8-12-17(13,14)4-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide?
2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide has a molecular weight of 301.43 g/mol, XLogP of -1.16, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide is sourced from PubChem (CID 120716053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).