2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane

C7H19N3O3S — CID 114816735

IUPAC2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane
SMILESCOCCNS(=O)(=O)N(C)CC(C)N
InChIInChI=1S/C7H19N3O3S/c1-7(8)6-10(2)14(11,12)9-4-5-13-3/h7,9H,4-6,8H2,1-3H3
InChIKeyAGGQOKCCKDUVBH-UHFFFAOYSA-N
MW225.31 g/mol
LogP-1.25
Rot. Bonds7

About 2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane

2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane (PubChem CID 114816735) has the molecular formula C7H19N3O3S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane.

Molecular Properties

Compound Name2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane
PubChem CID114816735
Molecular FormulaC7H19N3O3S
Molecular Weight225.31 g/mol
Exact Mass225.11
IUPAC Name2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane
SMILESCOCCNS(=O)(=O)N(C)CC(C)N
InChIInChI=1S/C7H19N3O3S/c1-7(8)6-10(2)14(11,12)9-4-5-13-3/h7,9H,4-6,8H2,1-3H3
InChIKeyAGGQOKCCKDUVBH-UHFFFAOYSA-N
XLogP-1.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-1.25
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

methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate
CID 114816329
2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 114815632
2-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 60768699
3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane
CID 119972420
ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
CID 114816338
1-amino-2-[ethyl(2-methoxyethylsulfamoyl)amino]ethane
CID 114813872
[2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane
CID 120717956
1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane
CID 120716233
2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid
CID 114814539
3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63251281
1-[[2-methoxyethyl(methyl)sulfamoyl]amino]-2-(methylamino)propane
CID 120824684
(2R)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103934791

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane?
The IUPAC name of 2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane (CID 114816735) is 2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane.
What is the SMILES notation for 2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane?
The canonical SMILES for 2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane is COCCNS(=O)(=O)N(C)CC(C)N.
What is the InChIKey of 2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane?
The InChIKey is AGGQOKCCKDUVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O3S/c1-7(8)6-10(2)14(11,12)9-4-5-13-3/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane?
2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane has a molecular weight of 225.31 g/mol, XLogP of -1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane is sourced from PubChem (CID 114816735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).