1-amino-3-[2-methoxyethylsulfamoyl(methyl)amino]propane

C7H19N3O3S — CID 61456308

IUPAC1-amino-3-[2-methoxyethylsulfamoyl(methyl)amino]propane
SMILESCOCCNS(=O)(=O)N(C)CCCN
InChIInChI=1S/C7H19N3O3S/c1-10(6-3-4-8)14(11,12)9-5-7-13-2/h9H,3-8H2,1-2H3
InChIKeyBEVXMGRJKYLRLF-UHFFFAOYSA-N
MW225.31 g/mol
LogP-1.25
Rot. Bonds8

About 1-amino-3-[2-methoxyethylsulfamoyl(methyl)amino]propane

1-amino-3-[2-methoxyethylsulfamoyl(methyl)amino]propane (PubChem CID 61456308) has the molecular formula C7H19N3O3S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-amino-3-[2-methoxyethylsulfamoyl(methyl)amino]propane.

Molecular Properties

Compound Name1-amino-3-[2-methoxyethylsulfamoyl(methyl)amino]propane
PubChem CID61456308
Molecular FormulaC7H19N3O3S
Molecular Weight225.31 g/mol
Exact Mass225.11
IUPAC Name1-amino-3-[2-methoxyethylsulfamoyl(methyl)amino]propane
SMILESCOCCNS(=O)(=O)N(C)CCCN
InChIInChI=1S/C7H19N3O3S/c1-10(6-3-4-8)14(11,12)9-5-7-13-2/h9H,3-8H2,1-2H3
InChIKeyBEVXMGRJKYLRLF-UHFFFAOYSA-N
XLogP-1.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-methoxyethylsulfamoyl(methyl)amino]propane?
The IUPAC name of 1-amino-3-[2-methoxyethylsulfamoyl(methyl)amino]propane (CID 61456308) is 1-amino-3-[2-methoxyethylsulfamoyl(methyl)amino]propane.
What is the SMILES notation for 1-amino-3-[2-methoxyethylsulfamoyl(methyl)amino]propane?
The canonical SMILES for 1-amino-3-[2-methoxyethylsulfamoyl(methyl)amino]propane is COCCNS(=O)(=O)N(C)CCCN.
What is the InChIKey of 1-amino-3-[2-methoxyethylsulfamoyl(methyl)amino]propane?
The InChIKey is BEVXMGRJKYLRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O3S/c1-10(6-3-4-8)14(11,12)9-5-7-13-2/h9H,3-8H2,1-2H3.
What are the key properties of 1-amino-3-[2-methoxyethylsulfamoyl(methyl)amino]propane?
1-amino-3-[2-methoxyethylsulfamoyl(methyl)amino]propane has a molecular weight of 225.31 g/mol, XLogP of -1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-methoxyethylsulfamoyl(methyl)amino]propane is sourced from PubChem (CID 61456308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).