1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane

C9H23N3O3S — CID 120716233

IUPAC1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane
SMILESCCCNCCNS(=O)(=O)N(C)CCOC
InChIInChI=1S/C9H23N3O3S/c1-4-5-10-6-7-11-16(13,14)12(2)8-9-15-3/h10-11H,4-9H2,1-3H3
InChIKeyOLDCFFIYOVUELX-UHFFFAOYSA-N
MW253.37 g/mol
LogP-0.60
Rot. Bonds10

About 1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane

1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane (PubChem CID 120716233) has the molecular formula C9H23N3O3S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane.

Molecular Properties

Compound Name1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane
PubChem CID120716233
Molecular FormulaC9H23N3O3S
Molecular Weight253.37 g/mol
Exact Mass253.15
IUPAC Name1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane
SMILESCCCNCCNS(=O)(=O)N(C)CCOC
InChIInChI=1S/C9H23N3O3S/c1-4-5-10-6-7-11-16(13,14)12(2)8-9-15-3/h10-11H,4-9H2,1-3H3
InChIKeyOLDCFFIYOVUELX-UHFFFAOYSA-N
XLogP-0.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 5-0.60
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

[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane
CID 119987276
[2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane
CID 120717956
[methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride
CID 120716511
1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene
CID 120715672
1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane
CID 106068275
1-[[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]amino]propane
CID 114809784
1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane
CID 120824684
2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane
CID 106086751
ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
CID 114816338
2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 114815632
1-amino-2-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-methylpropane
CID 119975712
3-chloro-N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)benzenesulfonamide
CID 107091387

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane?
The IUPAC name of 1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane (CID 120716233) is 1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane.
What is the SMILES notation for 1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane?
The canonical SMILES for 1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane is CCCNCCNS(=O)(=O)N(C)CCOC.
What is the InChIKey of 1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane?
The InChIKey is OLDCFFIYOVUELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O3S/c1-4-5-10-6-7-11-16(13,14)12(2)8-9-15-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane?
1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane has a molecular weight of 253.37 g/mol, XLogP of -0.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane is sourced from PubChem (CID 120716233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).